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

C19H23N5O — CID 168932275

IUPAC1-cyclopentyloxy-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2cnc(N[C@H]3CCCNC3)cc2c(OC2CCCC2)n1
InChIInChI=1S/C19H23N5O/c20-10-15-8-13-11-22-18(23-14-4-3-7-21-12-14)9-17(13)19(24-15)25-16-5-1-2-6-16/h8-9,11,14,16,21H,1-7,12H2,(H,22,23)/t14-/m0/s1
InChIKeyJNRKXRPCNVOCTN-AWEZNQCLSA-N
MW337.43 g/mol
LogP2.99
Rot. Bonds4

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

1-cyclopentyloxy-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile (PubChem CID 168932275) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-cyclopentyloxy-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopentyloxy-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
PubChem CID168932275
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-cyclopentyloxy-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2cnc(N[C@H]3CCCNC3)cc2c(OC2CCCC2)n1
InChIInChI=1S/C19H23N5O/c20-10-15-8-13-11-22-18(23-14-4-3-7-21-12-14)9-17(13)19(24-15)25-16-5-1-2-6-16/h8-9,11,14,16,21H,1-7,12H2,(H,22,23)/t14-/m0/s1
InChIKeyJNRKXRPCNVOCTN-AWEZNQCLSA-N
XLogP2.99
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile?
The IUPAC name of 1-cyclopentyloxy-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile (CID 168932275) is 1-cyclopentyloxy-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 1-cyclopentyloxy-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 1-cyclopentyloxy-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile is N#Cc1cc2cnc(N[C@H]3CCCNC3)cc2c(OC2CCCC2)n1.
What is the InChIKey of 1-cyclopentyloxy-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile?
The InChIKey is JNRKXRPCNVOCTN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N5O/c20-10-15-8-13-11-22-18(23-14-4-3-7-21-12-14)9-17(13)19(24-15)25-16-5-1-2-6-16/h8-9,11,14,16,21H,1-7,12H2,(H,22,23)/t14-/m0/s1.
What are the key properties of 1-cyclopentyloxy-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile?
1-cyclopentyloxy-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile has a molecular weight of 337.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 168932275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).