4-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide

C17H18N6O — CID 133468618

IUPAC4-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
SMILESN#Cc1cccnc1N1CCCN(c2ccncc2C(N)=O)CC1
InChIInChI=1S/C17H18N6O/c18-11-13-3-1-5-21-17(13)23-8-2-7-22(9-10-23)15-4-6-20-12-14(15)16(19)24/h1,3-6,12H,2,7-10H2,(H2,19,24)
InChIKeyWFVFCIGGZNXVTR-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.16
Rot. Bonds3

About 4-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide

4-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide (PubChem CID 133468618) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
PubChem CID133468618
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name4-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
SMILESN#Cc1cccnc1N1CCCN(c2ccncc2C(N)=O)CC1
InChIInChI=1S/C17H18N6O/c18-11-13-3-1-5-21-17(13)23-8-2-7-22(9-10-23)15-4-6-20-12-14(15)16(19)24/h1,3-6,12H,2,7-10H2,(H2,19,24)
InChIKeyWFVFCIGGZNXVTR-UHFFFAOYSA-N
XLogP1.16
TPSA99.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-[4-(3-cyano-2-pyridinyl)-1,4-diazepane-1-carbonyl]cyclopropanecarbonyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 166194097
2-[4-[3-(piperidine-1-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]benzonitrile
CID 133328453
4-[4-[4-(3-cyano-2-pyridinyl)-1,4-diazepane-1-carbonyl]phenoxy]benzamide
CID 56548995
2-[4-[2-[(2S)-oxolan-2-yl]acetyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 94625700
2-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]benzoic acid
CID 2812107
2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602458
2-[4-[2-(2-cyanophenyl)sulfanylbenzoyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 60575536
4-[4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenoxy]benzamide
CID 56545856
4-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carboxamide
CID 133443019
2-[4-[3-(3,5-dimethylphenoxy)propanoyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 86833378
phenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate
CID 51278531
2-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 134032363

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide?
The IUPAC name of 4-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide (CID 133468618) is 4-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide is N#Cc1cccnc1N1CCCN(c2ccncc2C(N)=O)CC1.
What is the InChIKey of 4-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide?
The InChIKey is WFVFCIGGZNXVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c18-11-13-3-1-5-21-17(13)23-8-2-7-22(9-10-23)15-4-6-20-12-14(15)16(19)24/h1,3-6,12H,2,7-10H2,(H2,19,24).
What are the key properties of 4-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide?
4-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133468618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).