(5S)-2-[(2R)-2-ethylpiperidin-1-yl]-N-naphthalen-1-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

C25H27N5O3 — CID 136875758

IUPAC(5S)-2-[(2R)-2-ethylpiperidin-1-yl]-N-naphthalen-1-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc3ccccc13)CC(=O)N2
InChIInChI=1S/C25H27N5O3/c1-2-16-10-5-6-13-30(16)25-28-22-21(24(33)29-25)18(14-20(31)27-22)23(32)26-19-12-7-9-15-8-3-4-11-17(15)19/h3-4,7-9,11-12,16,18H,2,5-6,10,13-14H2,1H3,(H,26,32)(H2,27,28,29,31,33)/t16-,18+/m1/s1
InChIKeyBQEWJQLJRNDEBK-AEFFLSMTSA-N
MW445.52 g/mol
LogP3.76
Rot. Bonds4

About (5S)-2-[(2R)-2-ethylpiperidin-1-yl]-N-naphthalen-1-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

(5S)-2-[(2R)-2-ethylpiperidin-1-yl]-N-naphthalen-1-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 136875758) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is (5S)-2-[(2R)-2-ethylpiperidin-1-yl]-N-naphthalen-1-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-2-[(2R)-2-ethylpiperidin-1-yl]-N-naphthalen-1-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID136875758
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name(5S)-2-[(2R)-2-ethylpiperidin-1-yl]-N-naphthalen-1-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc3ccccc13)CC(=O)N2
InChIInChI=1S/C25H27N5O3/c1-2-16-10-5-6-13-30(16)25-28-22-21(24(33)29-25)18(14-20(31)27-22)23(32)26-19-12-7-9-15-8-3-4-11-17(15)19/h3-4,7-9,11-12,16,18H,2,5-6,10,13-14H2,1H3,(H,26,32)(H2,27,28,29,31,33)/t16-,18+/m1/s1
InChIKeyBQEWJQLJRNDEBK-AEFFLSMTSA-N
XLogP3.76
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-2-(2-ethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994606
(5R)-N-(2-chlorophenyl)-2-[(2R)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028126
(5S)-N-(2,3-dichlorophenyl)-2-[(2R)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875808
(5R)-2-[(2R)-2-ethylpiperidin-1-yl]-N-(2-methoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028128
(5R)-N-(2-ethoxyphenyl)-2-[(2R)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028130
(5S)-N-(2-ethoxyphenyl)-2-[(2R)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875770
(5S)-2-[(2S)-2-ethylpiperidin-1-yl]-4,7-dioxo-N-[2-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875775
(5S)-2-[(2S)-2-ethylpiperidin-1-yl]-N-(2-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875779
(5R)-2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028098
(5R)-N-(2,5-dichlorophenyl)-2-[(2S)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028164
N-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994670
(5R)-N-(2,5-dimethylphenyl)-2-[(2R)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028153

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[(2R)-2-ethylpiperidin-1-yl]-N-naphthalen-1-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of (5S)-2-[(2R)-2-ethylpiperidin-1-yl]-N-naphthalen-1-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (CID 136875758) is (5S)-2-[(2R)-2-ethylpiperidin-1-yl]-N-naphthalen-1-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for (5S)-2-[(2R)-2-ethylpiperidin-1-yl]-N-naphthalen-1-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for (5S)-2-[(2R)-2-ethylpiperidin-1-yl]-N-naphthalen-1-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc3ccccc13)CC(=O)N2.
What is the InChIKey of (5S)-2-[(2R)-2-ethylpiperidin-1-yl]-N-naphthalen-1-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is BQEWJQLJRNDEBK-AEFFLSMTSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-2-16-10-5-6-13-30(16)25-28-22-21(24(33)29-25)18(14-20(31)27-22)23(32)26-19-12-7-9-15-8-3-4-11-17(15)19/h3-4,7-9,11-12,16,18H,2,5-6,10,13-14H2,1H3,(H,26,32)(H2,27,28,29,31,33)/t16-,18+/m1/s1.
What are the key properties of (5S)-2-[(2R)-2-ethylpiperidin-1-yl]-N-naphthalen-1-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
(5S)-2-[(2R)-2-ethylpiperidin-1-yl]-N-naphthalen-1-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 3.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[(2R)-2-ethylpiperidin-1-yl]-N-naphthalen-1-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 136875758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).