(3R,4R)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]-N-(oxan-4-yl)piperidine-3-carboxamide

C20H27N5O3 — CID 162652853

IUPAC(3R,4R)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]-N-(oxan-4-yl)piperidine-3-carboxamide
SMILESCc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCOCC3)c2[nH]c1=O
InChIInChI=1S/C20H27N5O3/c1-12-10-13-2-7-22-18(17(13)25-19(12)26)24-16-3-6-21-11-15(16)20(27)23-14-4-8-28-9-5-14/h2,7,10,14-16,21H,3-6,8-9,11H2,1H3,(H,22,24)(H,23,27)(H,25,26)/t15-,16-/m1/s1
InChIKeyYJYLTSMMMZXXPP-HZPDHXFCSA-N
MW385.47 g/mol
LogP0.92
Rot. Bonds4

About (3R,4R)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]-N-(oxan-4-yl)piperidine-3-carboxamide

(3R,4R)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]-N-(oxan-4-yl)piperidine-3-carboxamide (PubChem CID 162652853) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is (3R,4R)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]-N-(oxan-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]-N-(oxan-4-yl)piperidine-3-carboxamide
PubChem CID162652853
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name(3R,4R)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]-N-(oxan-4-yl)piperidine-3-carboxamide
SMILESCc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCOCC3)c2[nH]c1=O
InChIInChI=1S/C20H27N5O3/c1-12-10-13-2-7-22-18(17(13)25-19(12)26)24-16-3-6-21-11-15(16)20(27)23-14-4-8-28-9-5-14/h2,7,10,14-16,21H,3-6,8-9,11H2,1H3,(H,22,24)(H,23,27)(H,25,26)/t15-,16-/m1/s1
InChIKeyYJYLTSMMMZXXPP-HZPDHXFCSA-N
XLogP0.92
TPSA108.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]-N-(oxan-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R,4R)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]-N-(oxan-4-yl)piperidine-3-carboxamide (CID 162652853) is (3R,4R)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]-N-(oxan-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]-N-(oxan-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R,4R)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]-N-(oxan-4-yl)piperidine-3-carboxamide is Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCOCC3)c2[nH]c1=O.
What is the InChIKey of (3R,4R)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]-N-(oxan-4-yl)piperidine-3-carboxamide?
The InChIKey is YJYLTSMMMZXXPP-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-12-10-13-2-7-22-18(17(13)25-19(12)26)24-16-3-6-21-11-15(16)20(27)23-14-4-8-28-9-5-14/h2,7,10,14-16,21H,3-6,8-9,11H2,1H3,(H,22,24)(H,23,27)(H,25,26)/t15-,16-/m1/s1.
What are the key properties of (3R,4R)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]-N-(oxan-4-yl)piperidine-3-carboxamide?
(3R,4R)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]-N-(oxan-4-yl)piperidine-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 0.92, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]-N-(oxan-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 162652853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).