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

C18H24N6 — CID 168932072

IUPAC1-(diethylamino)-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
SMILESCCN(CC)c1nc(C#N)cc2cnc(N[C@H]3CCCNC3)cc12
InChIInChI=1S/C18H24N6/c1-3-24(4-2)18-16-9-17(22-14-6-5-7-20-12-14)21-11-13(16)8-15(10-19)23-18/h8-9,11,14,20H,3-7,12H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyJLAXISVWDPIHOD-AWEZNQCLSA-N
MW324.43 g/mol
LogP2.51
Rot. Bonds5

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

1-(diethylamino)-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile (PubChem CID 168932072) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-(diethylamino)-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(diethylamino)-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
PubChem CID168932072
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name1-(diethylamino)-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
SMILESCCN(CC)c1nc(C#N)cc2cnc(N[C@H]3CCCNC3)cc12
InChIInChI=1S/C18H24N6/c1-3-24(4-2)18-16-9-17(22-14-6-5-7-20-12-14)21-11-13(16)8-15(10-19)23-18/h8-9,11,14,20H,3-7,12H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyJLAXISVWDPIHOD-AWEZNQCLSA-N
XLogP2.51
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-methylcyclopropyl)amino]-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
CID 168932347
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
3-(difluoromethyl)-7-N-[(3S)-piperidin-3-yl]-2,6-naphthyridine-1,7-diamine
CID 170188347
6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine
CID 126848416
4-N-ethyl-4-N,2-dimethyl-6-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266504
5-(piperidin-3-ylamino)pyridine-2-carbonitrile
CID 115490388
6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine
CID 66319465
6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266503
2-[ethyl(piperidin-3-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552798
7-[[(1S,2R)-2-hydroxycyclohexyl]amino]-1-(propan-2-ylamino)-2,6-naphthyridine-3-carbonitrile
CID 168932064

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile?
The IUPAC name of 1-(diethylamino)-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile (CID 168932072) is 1-(diethylamino)-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 1-(diethylamino)-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 1-(diethylamino)-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile is CCN(CC)c1nc(C#N)cc2cnc(N[C@H]3CCCNC3)cc12.
What is the InChIKey of 1-(diethylamino)-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile?
The InChIKey is JLAXISVWDPIHOD-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N6/c1-3-24(4-2)18-16-9-17(22-14-6-5-7-20-12-14)21-11-13(16)8-15(10-19)23-18/h8-9,11,14,20H,3-7,12H2,1-2H3,(H,21,22)/t14-/m0/s1.
What are the key properties of 1-(diethylamino)-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile?
1-(diethylamino)-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile has a molecular weight of 324.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 168932072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).