N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

C18H25N5O — CID 131925742

IUPACN-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESCc1cccnc1NCCNC(=O)CCc1n[nH]c2c1CCCC2
InChIInChI=1S/C18H25N5O/c1-13-5-4-10-20-18(13)21-12-11-19-17(24)9-8-16-14-6-2-3-7-15(14)22-23-16/h4-5,10H,2-3,6-9,11-12H2,1H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeyFNOFEXFCRLJWDI-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.15
Rot. Bonds7

About N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (PubChem CID 131925742) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
PubChem CID131925742
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESCc1cccnc1NCCNC(=O)CCc1n[nH]c2c1CCCC2
InChIInChI=1S/C18H25N5O/c1-13-5-4-10-20-18(13)21-12-11-19-17(24)9-8-16-14-6-2-3-7-15(14)22-23-16/h4-5,10H,2-3,6-9,11-12H2,1H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeyFNOFEXFCRLJWDI-UHFFFAOYSA-N
XLogP2.15
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylsulfanylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 74240719
N-[2-(2-fluorophenoxy)ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 74249074
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-methylsulfanylpropanamide
CID 91784355
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 72927177
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 91831552
N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 118788666
N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 122569470
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 136663690
N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 50976082
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 131925719
3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoate
CID 7236613
5-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide
CID 91834000

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The IUPAC name of N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (CID 131925742) is N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.
What is the SMILES notation for N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The canonical SMILES for N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is Cc1cccnc1NCCNC(=O)CCc1n[nH]c2c1CCCC2.
What is the InChIKey of N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The InChIKey is FNOFEXFCRLJWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-5-4-10-20-18(13)21-12-11-19-17(24)9-8-16-14-6-2-3-7-15(14)22-23-16/h4-5,10H,2-3,6-9,11-12H2,1H3,(H,19,24)(H,20,21)(H,22,23).
What are the key properties of N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide has a molecular weight of 327.43 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is sourced from PubChem (CID 131925742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).