2-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]pyridine-3-carbonitrile

C19H24N6 — CID 129337104

IUPAC2-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]pyridine-3-carbonitrile
SMILESCN(C)c1ccc(N[C@@H]2CCCN(c3ncccc3C#N)CC2)cn1
InChIInChI=1S/C19H24N6/c1-24(2)18-8-7-17(14-22-18)23-16-6-4-11-25(12-9-16)19-15(13-20)5-3-10-21-19/h3,5,7-8,10,14,16,23H,4,6,9,11-12H2,1-2H3/t16-/m1/s1
InChIKeyLFNULVFTSZXSCV-MRXNPFEDSA-N
MW336.44 g/mol
LogP2.89
Rot. Bonds4

About 2-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]pyridine-3-carbonitrile

2-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]pyridine-3-carbonitrile (PubChem CID 129337104) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]pyridine-3-carbonitrile
PubChem CID129337104
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name2-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]pyridine-3-carbonitrile
SMILESCN(C)c1ccc(N[C@@H]2CCCN(c3ncccc3C#N)CC2)cn1
InChIInChI=1S/C19H24N6/c1-24(2)18-8-7-17(14-22-18)23-16-6-4-11-25(12-9-16)19-15(13-20)5-3-10-21-19/h3,5,7-8,10,14,16,23H,4,6,9,11-12H2,1-2H3/t16-/m1/s1
InChIKeyLFNULVFTSZXSCV-MRXNPFEDSA-N
XLogP2.89
TPSA68.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
2-N,2-N-dimethyl-5-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2,5-diamine
CID 43690467
[6-(dimethylamino)-3-pyridinyl]-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]methanone
CID 129343902
2-[4-[(5-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 135087837
2-N,2-N-dimethyl-5-N-[(4R)-1-(tetrazolo[1,5-b]pyridazin-6-yl)azepan-4-yl]pyridine-2,5-diamine
CID 129332645
2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 171328145
2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile
CID 65281203
5-[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carbonyl]-1-methylpyrrole-3-carbonitrile
CID 129339812
2-[4-(cyclopropylmethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 115307500
(4R)-N-cyclopropyl-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carboxamide
CID 129341635
2-N,2-N-dimethyl-5-N-[(4R)-1-(1H-pyrazol-5-ylmethyl)azepan-4-yl]pyridine-2,5-diamine
CID 129343786
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993643

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]pyridine-3-carbonitrile (CID 129337104) is 2-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]pyridine-3-carbonitrile is CN(C)c1ccc(N[C@@H]2CCCN(c3ncccc3C#N)CC2)cn1.
What is the InChIKey of 2-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]pyridine-3-carbonitrile?
The InChIKey is LFNULVFTSZXSCV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N6/c1-24(2)18-8-7-17(14-22-18)23-16-6-4-11-25(12-9-16)19-15(13-20)5-3-10-21-19/h3,5,7-8,10,14,16,23H,4,6,9,11-12H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]pyridine-3-carbonitrile?
2-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]pyridine-3-carbonitrile has a molecular weight of 336.44 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 129337104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).