heptane;7-methyl-1,8-naphthyridin-2-amine;N-(7-methyl-1,8-naphthyridin-2-yl)-3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]propanamide

C40H50N10O2 — CID 158365975

IUPACheptane;7-methyl-1,8-naphthyridin-2-amine;N-(7-methyl-1,8-naphthyridin-2-yl)-3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]propanamide
SMILESCCCCCCC.Cc1ccc2ccc(N)nc2n1.Cc1ccc2ccc(NC(=O)CCNCCC(=O)Nc3ccc4ccc(C)nc4n3)nc2n1
InChIInChI=1S/C24H25N7O2.C9H9N3.C7H16/c1-15-3-5-17-7-9-19(30-23(17)26-15)28-21(32)11-13-25-14-12-22(33)29-20-10-8-18-6-4-16(2)27-24(18)31-20;1-6-2-3-7-4-5-8(10)12-9(7)11-6;1-3-5-7-6-4-2/h3-10,25H,11-14H2,1-2H3,(H,26,28,30,32)(H,27,29,31,33);2-5H,1H3,(H2,10,11,12);3-7H2,1-2H3
InChIKeyGUANHCJLWASQCX-UHFFFAOYSA-N
MW702.91 g/mol
LogP7.63
Rot. Bonds12

About heptane;7-methyl-1,8-naphthyridin-2-amine;N-(7-methyl-1,8-naphthyridin-2-yl)-3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]propanamide

heptane;7-methyl-1,8-naphthyridin-2-amine;N-(7-methyl-1,8-naphthyridin-2-yl)-3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]propanamide (PubChem CID 158365975) has the molecular formula C40H50N10O2 and a molecular weight of 702.91 g/mol. Its IUPAC name is heptane;7-methyl-1,8-naphthyridin-2-amine;N-(7-methyl-1,8-naphthyridin-2-yl)-3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]propanamide.

Molecular Properties

Compound Nameheptane;7-methyl-1,8-naphthyridin-2-amine;N-(7-methyl-1,8-naphthyridin-2-yl)-3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]propanamide
PubChem CID158365975
Molecular FormulaC40H50N10O2
Molecular Weight702.91 g/mol
Exact Mass702.41
IUPAC Nameheptane;7-methyl-1,8-naphthyridin-2-amine;N-(7-methyl-1,8-naphthyridin-2-yl)-3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]propanamide
SMILESCCCCCCC.Cc1ccc2ccc(N)nc2n1.Cc1ccc2ccc(NC(=O)CCNCCC(=O)Nc3ccc4ccc(C)nc4n3)nc2n1
InChIInChI=1S/C24H25N7O2.C9H9N3.C7H16/c1-15-3-5-17-7-9-19(30-23(17)26-15)28-21(32)11-13-25-14-12-22(33)29-20-10-8-18-6-4-16(2)27-24(18)31-20;1-6-2-3-7-4-5-8(10)12-9(7)11-6;1-3-5-7-6-4-2/h3-10,25H,11-14H2,1-2H3,(H,26,28,30,32)(H,27,29,31,33);2-5H,1H3,(H2,10,11,12);3-7H2,1-2H3
InChIKeyGUANHCJLWASQCX-UHFFFAOYSA-N
XLogP7.63
TPSA173.59 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.91
LogP ≤ 57.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze heptane;7-methyl-1,8-naphthyridin-2-amine;N-(7-methyl-1,8-naphthyridin-2-yl)-3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]propanamide with MolForge

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Related Compounds

4-amino-N-(7-methyl-1,8-naphthyridin-2-yl)butanamide;hydrochloride
CID 139882028
N-(7-chloro-1,8-naphthyridin-2-yl)butanamide
CID 102404571
3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-[(7-oxo-8H-1,8-naphthyridin-2-yl)methyl]propanamide
CID 5497094
tert-butyl N-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxoethyl]carbamate
CID 101036428
N-(5,7-dimethyl-1,8-naphthyridin-2-yl)butanamide
CID 6488581
N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide
CID 11038419
N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide
CID 101442784
N-[23-(octanoylamino)-4,6,24,26-tetrazaoctacyclo[14.11.0.02,14.03,12.05,10.013,17.018,27.020,25]heptacosa-3(12),4,6,8,10,18(27),19,21,23,25-decaen-7-yl]octanamide
CID 15654583
N-(5-bromo-6-methyl-2-pyridinyl)nonanamide
CID 79048735
CID 162244949
CID 162244949
N-(3-amino-2,6-dimethylphenyl)decanamide
CID 65448531
N-(6-fluoro-2-pyridinyl)octanamide
CID 104820556

Frequently Asked Questions

What is the IUPAC name of heptane;7-methyl-1,8-naphthyridin-2-amine;N-(7-methyl-1,8-naphthyridin-2-yl)-3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]propanamide?
The IUPAC name of heptane;7-methyl-1,8-naphthyridin-2-amine;N-(7-methyl-1,8-naphthyridin-2-yl)-3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]propanamide (CID 158365975) is heptane;7-methyl-1,8-naphthyridin-2-amine;N-(7-methyl-1,8-naphthyridin-2-yl)-3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]propanamide.
What is the SMILES notation for heptane;7-methyl-1,8-naphthyridin-2-amine;N-(7-methyl-1,8-naphthyridin-2-yl)-3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]propanamide?
The canonical SMILES for heptane;7-methyl-1,8-naphthyridin-2-amine;N-(7-methyl-1,8-naphthyridin-2-yl)-3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]propanamide is CCCCCCC.Cc1ccc2ccc(N)nc2n1.Cc1ccc2ccc(NC(=O)CCNCCC(=O)Nc3ccc4ccc(C)nc4n3)nc2n1.
What is the InChIKey of heptane;7-methyl-1,8-naphthyridin-2-amine;N-(7-methyl-1,8-naphthyridin-2-yl)-3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]propanamide?
The InChIKey is GUANHCJLWASQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2.C9H9N3.C7H16/c1-15-3-5-17-7-9-19(30-23(17)26-15)28-21(32)11-13-25-14-12-22(33)29-20-10-8-18-6-4-16(2)27-24(18)31-20;1-6-2-3-7-4-5-8(10)12-9(7)11-6;1-3-5-7-6-4-2/h3-10,25H,11-14H2,1-2H3,(H,26,28,30,32)(H,27,29,31,33);2-5H,1H3,(H2,10,11,12);3-7H2,1-2H3.
What are the key properties of heptane;7-methyl-1,8-naphthyridin-2-amine;N-(7-methyl-1,8-naphthyridin-2-yl)-3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]propanamide?
heptane;7-methyl-1,8-naphthyridin-2-amine;N-(7-methyl-1,8-naphthyridin-2-yl)-3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]propanamide has a molecular weight of 702.91 g/mol, XLogP of 7.63, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for heptane;7-methyl-1,8-naphthyridin-2-amine;N-(7-methyl-1,8-naphthyridin-2-yl)-3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]propanamide is sourced from PubChem (CID 158365975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).