N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-5-methyl-1,2-dihydropyridine-6-carboxamide

C16H26N4O — CID 118422462

IUPACN-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-5-methyl-1,2-dihydropyridine-6-carboxamide
SMILESCC1=C(C(=O)NCC2CC2)NC(N2CCCNCC2)C=C1
InChIInChI=1S/C16H26N4O/c1-12-3-6-14(20-9-2-7-17-8-10-20)19-15(12)16(21)18-11-13-4-5-13/h3,6,13-14,17,19H,2,4-5,7-11H2,1H3,(H,18,21)
InChIKeyAMTCMYSFGCXEEG-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.57
Rot. Bonds4

About N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-5-methyl-1,2-dihydropyridine-6-carboxamide

N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-5-methyl-1,2-dihydropyridine-6-carboxamide (PubChem CID 118422462) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-5-methyl-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-5-methyl-1,2-dihydropyridine-6-carboxamide
PubChem CID118422462
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-5-methyl-1,2-dihydropyridine-6-carboxamide
SMILESCC1=C(C(=O)NCC2CC2)NC(N2CCCNCC2)C=C1
InChIInChI=1S/C16H26N4O/c1-12-3-6-14(20-9-2-7-17-8-10-20)19-15(12)16(21)18-11-13-4-5-13/h3,6,13-14,17,19H,2,4-5,7-11H2,1H3,(H,18,21)
InChIKeyAMTCMYSFGCXEEG-UHFFFAOYSA-N
XLogP0.57
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-5-methyl-1,2-dihydropyridine-6-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-5-methyl-1,2-dihydropyridine-6-carboxamide (CID 118422462) is N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-5-methyl-1,2-dihydropyridine-6-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-5-methyl-1,2-dihydropyridine-6-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-5-methyl-1,2-dihydropyridine-6-carboxamide is CC1=C(C(=O)NCC2CC2)NC(N2CCCNCC2)C=C1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-5-methyl-1,2-dihydropyridine-6-carboxamide?
The InChIKey is AMTCMYSFGCXEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12-3-6-14(20-9-2-7-17-8-10-20)19-15(12)16(21)18-11-13-4-5-13/h3,6,13-14,17,19H,2,4-5,7-11H2,1H3,(H,18,21).
What are the key properties of N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-5-methyl-1,2-dihydropyridine-6-carboxamide?
N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-5-methyl-1,2-dihydropyridine-6-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-5-methyl-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 118422462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).