[4-(6-aminopyridine-3-carbonyl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone

C18H21N5O3 — CID 134700221

IUPAC[4-(6-aminopyridine-3-carbonyl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone
SMILESCOc1cc(C(=O)N2CCCN(C(=O)c3ccc(N)nc3)CC2)ccn1
InChIInChI=1S/C18H21N5O3/c1-26-16-11-13(5-6-20-16)17(24)22-7-2-8-23(10-9-22)18(25)14-3-4-15(19)21-12-14/h3-6,11-12H,2,7-10H2,1H3,(H2,19,21)
InChIKeyUSNCRGGOSRUXAU-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.06
Rot. Bonds3

About [4-(6-aminopyridine-3-carbonyl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone

[4-(6-aminopyridine-3-carbonyl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone (PubChem CID 134700221) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is [4-(6-aminopyridine-3-carbonyl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(6-aminopyridine-3-carbonyl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone
PubChem CID134700221
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name[4-(6-aminopyridine-3-carbonyl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone
SMILESCOc1cc(C(=O)N2CCCN(C(=O)c3ccc(N)nc3)CC2)ccn1
InChIInChI=1S/C18H21N5O3/c1-26-16-11-13(5-6-20-16)17(24)22-7-2-8-23(10-9-22)18(25)14-3-4-15(19)21-12-14/h3-6,11-12H,2,7-10H2,1H3,(H2,19,21)
InChIKeyUSNCRGGOSRUXAU-UHFFFAOYSA-N
XLogP1.06
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(6-aminopyridine-3-carbonyl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone with MolForge

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Related Compounds

(2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 110849835
5-chloro-6-[4-(2-methoxypyridine-4-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
CID 138387802
(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200428
(3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200431
4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid
CID 86641079
[4-(1,4-dithiepan-6-yl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 138807780
1-(2-methoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 84580487
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 122335043
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 129492955
(6-amino-3-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 68729434
[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 97149586
(6-amino-3-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63162100

Frequently Asked Questions

What is the IUPAC name of [4-(6-aminopyridine-3-carbonyl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone?
The IUPAC name of [4-(6-aminopyridine-3-carbonyl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone (CID 134700221) is [4-(6-aminopyridine-3-carbonyl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone.
What is the SMILES notation for [4-(6-aminopyridine-3-carbonyl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone?
The canonical SMILES for [4-(6-aminopyridine-3-carbonyl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone is COc1cc(C(=O)N2CCCN(C(=O)c3ccc(N)nc3)CC2)ccn1.
What is the InChIKey of [4-(6-aminopyridine-3-carbonyl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone?
The InChIKey is USNCRGGOSRUXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-26-16-11-13(5-6-20-16)17(24)22-7-2-8-23(10-9-22)18(25)14-3-4-15(19)21-12-14/h3-6,11-12H,2,7-10H2,1H3,(H2,19,21).
What are the key properties of [4-(6-aminopyridine-3-carbonyl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone?
[4-(6-aminopyridine-3-carbonyl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone has a molecular weight of 355.40 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-aminopyridine-3-carbonyl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone is sourced from PubChem (CID 134700221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).