N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-3-hydroxy-1,2-dihydropyridine-6-carboxamide

C15H24N4O2 — CID 118422470

IUPACN-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-3-hydroxy-1,2-dihydropyridine-6-carboxamide
SMILESO=C(NCC1CC1)C1=CC=C(O)C(N2CCCNCC2)N1
InChIInChI=1S/C15H24N4O2/c20-13-5-4-12(15(21)17-10-11-2-3-11)18-14(13)19-8-1-6-16-7-9-19/h4-5,11,14,16,18,20H,1-3,6-10H2,(H,17,21)
InChIKeyDESPFIUJAJOZQW-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.06
Rot. Bonds4

About N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-3-hydroxy-1,2-dihydropyridine-6-carboxamide

N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-3-hydroxy-1,2-dihydropyridine-6-carboxamide (PubChem CID 118422470) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-3-hydroxy-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-3-hydroxy-1,2-dihydropyridine-6-carboxamide
PubChem CID118422470
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-3-hydroxy-1,2-dihydropyridine-6-carboxamide
SMILESO=C(NCC1CC1)C1=CC=C(O)C(N2CCCNCC2)N1
InChIInChI=1S/C15H24N4O2/c20-13-5-4-12(15(21)17-10-11-2-3-11)18-14(13)19-8-1-6-16-7-9-19/h4-5,11,14,16,18,20H,1-3,6-10H2,(H,17,21)
InChIKeyDESPFIUJAJOZQW-UHFFFAOYSA-N
XLogP0.06
TPSA76.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-3-hydroxy-1,2-dihydropyridine-6-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-3-hydroxy-1,2-dihydropyridine-6-carboxamide (CID 118422470) is N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-3-hydroxy-1,2-dihydropyridine-6-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-3-hydroxy-1,2-dihydropyridine-6-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-3-hydroxy-1,2-dihydropyridine-6-carboxamide is O=C(NCC1CC1)C1=CC=C(O)C(N2CCCNCC2)N1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-3-hydroxy-1,2-dihydropyridine-6-carboxamide?
The InChIKey is DESPFIUJAJOZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c20-13-5-4-12(15(21)17-10-11-2-3-11)18-14(13)19-8-1-6-16-7-9-19/h4-5,11,14,16,18,20H,1-3,6-10H2,(H,17,21).
What are the key properties of N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-3-hydroxy-1,2-dihydropyridine-6-carboxamide?
N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-3-hydroxy-1,2-dihydropyridine-6-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.06, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-3-hydroxy-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 118422470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).