2-[[(2S)-3-(dimethylamino)-2-hydroxypropyl]amino]-6-propan-2-ylpyridine-3-carbonitrile

C14H22N4O — CID 125445568

IUPAC2-[[(2S)-3-(dimethylamino)-2-hydroxypropyl]amino]-6-propan-2-ylpyridine-3-carbonitrile
SMILESCC(C)c1ccc(C#N)c(NC[C@H](O)CN(C)C)n1
InChIInChI=1S/C14H22N4O/c1-10(2)13-6-5-11(7-15)14(17-13)16-8-12(19)9-18(3)4/h5-6,10,12,19H,8-9H2,1-4H3,(H,16,17)/t12-/m0/s1
InChIKeyIBSVQXYGSHZBNQ-LBPRGKRZSA-N
MW262.36 g/mol
LogP1.41
Rot. Bonds6

About 2-[[(2S)-3-(dimethylamino)-2-hydroxypropyl]amino]-6-propan-2-ylpyridine-3-carbonitrile

2-[[(2S)-3-(dimethylamino)-2-hydroxypropyl]amino]-6-propan-2-ylpyridine-3-carbonitrile (PubChem CID 125445568) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[[(2S)-3-(dimethylamino)-2-hydroxypropyl]amino]-6-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(2S)-3-(dimethylamino)-2-hydroxypropyl]amino]-6-propan-2-ylpyridine-3-carbonitrile
PubChem CID125445568
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[[(2S)-3-(dimethylamino)-2-hydroxypropyl]amino]-6-propan-2-ylpyridine-3-carbonitrile
SMILESCC(C)c1ccc(C#N)c(NC[C@H](O)CN(C)C)n1
InChIInChI=1S/C14H22N4O/c1-10(2)13-6-5-11(7-15)14(17-13)16-8-12(19)9-18(3)4/h5-6,10,12,19H,8-9H2,1-4H3,(H,16,17)/t12-/m0/s1
InChIKeyIBSVQXYGSHZBNQ-LBPRGKRZSA-N
XLogP1.41
TPSA72.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-Dimethyl-2-[3-(4-morpholinyl)propylamino]-3-pyridinecarbonitrile
CID 2013066
2-[(2-Hydroxyethyl)amino]pyridine-3-carbonitrile
CID 17860931
Dicyclopropyl-methanone O-[2-hydroxy-3-(6-methyl-pyridin-2-ylamino)-propyl]-oxime
CID 10520135
2-Amino-6-(2-hydroxyethylamine)pyridine-3,5-dicarbonitrile
CID 49864036
(2R)-3-methyl-2-[(6-pyrrolidin-1-yl-2-pyridinyl)methylamino]butan-1-ol
CID 68312570
2,6-Bis((2-hydroxyethyl)amino)-4-methylnicotinonitrile
CID 170127
2-[(2-Hydroxyethyl)amino]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 3612835
6-((2-Hydroxyethyl)amino)-4-methyl-2-(4-methylpiperazin-1-yl)nicotinonitrile
CID 53368791
6-((2-Hydroxyethyl)amino)-4-methyl-2-(pyrrolidin-1-yl)nicotinonitrile
CID 53369848
2-(4-Benzylpiperidin-1-yl)-6-[(2-hydroxyethyl)amino]-4-methylpyridine-3-carbonitrile
CID 53370417
2-[(3R)-3-hydroxy-3,4,4-trimethyl-1-pyrrolidinyl]-6-isopropylnicotinonitrile
CID 72880204
6-(1-Oxa-4,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carbonitrile
CID 118745651

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-3-(dimethylamino)-2-hydroxypropyl]amino]-6-propan-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-[[(2S)-3-(dimethylamino)-2-hydroxypropyl]amino]-6-propan-2-ylpyridine-3-carbonitrile (CID 125445568) is 2-[[(2S)-3-(dimethylamino)-2-hydroxypropyl]amino]-6-propan-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(2S)-3-(dimethylamino)-2-hydroxypropyl]amino]-6-propan-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-[[(2S)-3-(dimethylamino)-2-hydroxypropyl]amino]-6-propan-2-ylpyridine-3-carbonitrile is CC(C)c1ccc(C#N)c(NC[C@H](O)CN(C)C)n1.
What is the InChIKey of 2-[[(2S)-3-(dimethylamino)-2-hydroxypropyl]amino]-6-propan-2-ylpyridine-3-carbonitrile?
The InChIKey is IBSVQXYGSHZBNQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10(2)13-6-5-11(7-15)14(17-13)16-8-12(19)9-18(3)4/h5-6,10,12,19H,8-9H2,1-4H3,(H,16,17)/t12-/m0/s1.
What are the key properties of 2-[[(2S)-3-(dimethylamino)-2-hydroxypropyl]amino]-6-propan-2-ylpyridine-3-carbonitrile?
2-[[(2S)-3-(dimethylamino)-2-hydroxypropyl]amino]-6-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 262.36 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-3-(dimethylamino)-2-hydroxypropyl]amino]-6-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 125445568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).