1-[(1-methylcyclopropyl)amino]-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile

C18H22N6 — CID 168932347

IUPAC1-[(1-methylcyclopropyl)amino]-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
SMILESCC1(Nc2nc(C#N)cc3cnc(N[C@H]4CCCNC4)cc23)CC1
InChIInChI=1S/C18H22N6/c1-18(4-5-18)24-17-15-8-16(22-13-3-2-6-20-11-13)21-10-12(15)7-14(9-19)23-17/h7-8,10,13,20H,2-6,11H2,1H3,(H,21,22)(H,23,24)/t13-/m0/s1
InChIKeyPLJRWZKHVPFVLE-ZDUSSCGKSA-N
MW322.42 g/mol
LogP2.63
Rot. Bonds4

About 1-[(1-methylcyclopropyl)amino]-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile

1-[(1-methylcyclopropyl)amino]-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile (PubChem CID 168932347) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 1-[(1-methylcyclopropyl)amino]-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(1-methylcyclopropyl)amino]-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
PubChem CID168932347
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name1-[(1-methylcyclopropyl)amino]-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
SMILESCC1(Nc2nc(C#N)cc3cnc(N[C@H]4CCCNC4)cc23)CC1
InChIInChI=1S/C18H22N6/c1-18(4-5-18)24-17-15-8-16(22-13-3-2-6-20-11-13)21-10-12(15)7-14(9-19)23-17/h7-8,10,13,20H,2-6,11H2,1H3,(H,21,22)(H,23,24)/t13-/m0/s1
InChIKeyPLJRWZKHVPFVLE-ZDUSSCGKSA-N
XLogP2.63
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(1-methylcyclopropyl)amino]-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile with MolForge

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Related Compounds

1-(diethylamino)-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
CID 168932072
7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
CID 168932124
1-cyclopentyloxy-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
CID 168932275
2-[[(3R)-piperidin-3-yl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile
CID 168932145
7-[[(1S,2R)-2-hydroxycyclohexyl]amino]-1-(propan-2-ylamino)-2,6-naphthyridine-3-carbonitrile
CID 168932064
tert-butyl N-[3-[[7-cyano-5-(propan-2-ylamino)-2,6-naphthyridin-3-yl]amino]-1-methylcyclobutyl]carbamate
CID 170188357
3-(difluoromethyl)-7-N-[(3S)-piperidin-3-yl]-2,6-naphthyridine-1,7-diamine
CID 170188347
5-(piperidin-3-ylamino)pyridine-2-carbonitrile
CID 115490388
6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266503
4-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71638526
2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile;hydrochloride
CID 71643662
6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine
CID 126848416

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylcyclopropyl)amino]-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile?
The IUPAC name of 1-[(1-methylcyclopropyl)amino]-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile (CID 168932347) is 1-[(1-methylcyclopropyl)amino]-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 1-[(1-methylcyclopropyl)amino]-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 1-[(1-methylcyclopropyl)amino]-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile is CC1(Nc2nc(C#N)cc3cnc(N[C@H]4CCCNC4)cc23)CC1.
What is the InChIKey of 1-[(1-methylcyclopropyl)amino]-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile?
The InChIKey is PLJRWZKHVPFVLE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N6/c1-18(4-5-18)24-17-15-8-16(22-13-3-2-6-20-11-13)21-10-12(15)7-14(9-19)23-17/h7-8,10,13,20H,2-6,11H2,1H3,(H,21,22)(H,23,24)/t13-/m0/s1.
What are the key properties of 1-[(1-methylcyclopropyl)amino]-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile?
1-[(1-methylcyclopropyl)amino]-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile has a molecular weight of 322.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylcyclopropyl)amino]-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 168932347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).