N-[2-[(2-amino-1,5-naphthyridin-4-yl)amino]-2-methylhexyl]cyclopropanecarboxamide

C19H27N5O — CID 162680445

IUPACN-[2-[(2-amino-1,5-naphthyridin-4-yl)amino]-2-methylhexyl]cyclopropanecarboxamide
SMILESCCCCC(C)(CNC(=O)C1CC1)Nc1cc(N)nc2cccnc12
InChIInChI=1S/C19H27N5O/c1-3-4-9-19(2,12-22-18(25)13-7-8-13)24-15-11-16(20)23-14-6-5-10-21-17(14)15/h5-6,10-11,13H,3-4,7-9,12H2,1-2H3,(H,22,25)(H3,20,23,24)
InChIKeyNKLRCDCUUFVEEQ-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.10
Rot. Bonds8

About N-[2-[(2-amino-1,5-naphthyridin-4-yl)amino]-2-methylhexyl]cyclopropanecarboxamide

N-[2-[(2-amino-1,5-naphthyridin-4-yl)amino]-2-methylhexyl]cyclopropanecarboxamide (PubChem CID 162680445) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[2-[(2-amino-1,5-naphthyridin-4-yl)amino]-2-methylhexyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-amino-1,5-naphthyridin-4-yl)amino]-2-methylhexyl]cyclopropanecarboxamide
PubChem CID162680445
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[2-[(2-amino-1,5-naphthyridin-4-yl)amino]-2-methylhexyl]cyclopropanecarboxamide
SMILESCCCCC(C)(CNC(=O)C1CC1)Nc1cc(N)nc2cccnc12
InChIInChI=1S/C19H27N5O/c1-3-4-9-19(2,12-22-18(25)13-7-8-13)24-15-11-16(20)23-14-6-5-10-21-17(14)15/h5-6,10-11,13H,3-4,7-9,12H2,1-2H3,(H,22,25)(H3,20,23,24)
InChIKeyNKLRCDCUUFVEEQ-UHFFFAOYSA-N
XLogP3.10
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1-amino-2-methylhexan-2-yl)-1,5-naphthyridine-2,4-diamine
CID 171782266
(2S)-N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]piperidine-2-carboxamide
CID 162475052
N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
CID 122599112
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptyl]acetamide
CID 122585361
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1,2-oxazole-3-carboxamide
CID 175478859
N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1-methyl-1,2,4-triazole-3-carboxamide
CID 169102407
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentyl]acetamide
CID 134319396
4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598680
4-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide
CID 20895152
N-[2-[(2-aminoquinazolin-4-yl)amino]-2-methylhexyl]acetamide
CID 134305634
(2R)-2-[[2-amino-7-[2-(diethylamino)pyrimidin-5-yl]-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol
CID 162680433
N-[2-[(2-aminopteridin-4-yl)amino]-2-methylhexyl]acetamide
CID 134305672

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-1,5-naphthyridin-4-yl)amino]-2-methylhexyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(2-amino-1,5-naphthyridin-4-yl)amino]-2-methylhexyl]cyclopropanecarboxamide (CID 162680445) is N-[2-[(2-amino-1,5-naphthyridin-4-yl)amino]-2-methylhexyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(2-amino-1,5-naphthyridin-4-yl)amino]-2-methylhexyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(2-amino-1,5-naphthyridin-4-yl)amino]-2-methylhexyl]cyclopropanecarboxamide is CCCCC(C)(CNC(=O)C1CC1)Nc1cc(N)nc2cccnc12.
What is the InChIKey of N-[2-[(2-amino-1,5-naphthyridin-4-yl)amino]-2-methylhexyl]cyclopropanecarboxamide?
The InChIKey is NKLRCDCUUFVEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-3-4-9-19(2,12-22-18(25)13-7-8-13)24-15-11-16(20)23-14-6-5-10-21-17(14)15/h5-6,10-11,13H,3-4,7-9,12H2,1-2H3,(H,22,25)(H3,20,23,24).
What are the key properties of N-[2-[(2-amino-1,5-naphthyridin-4-yl)amino]-2-methylhexyl]cyclopropanecarboxamide?
N-[2-[(2-amino-1,5-naphthyridin-4-yl)amino]-2-methylhexyl]cyclopropanecarboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-1,5-naphthyridin-4-yl)amino]-2-methylhexyl]cyclopropanecarboxamide is sourced from PubChem (CID 162680445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).