(5R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

C21H21ClF3N5O3 — CID 137027988

About (5R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

(5R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 137027988) has the molecular formula C21H21ClF3N5O3 and a molecular weight of 483.88 g/mol. Its IUPAC name is (5R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: (5R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 137027988
• Molecular Formula: C21H21ClF3N5O3
• Molecular Weight: 483.88 g/mol
• Exact Mass: 483.13
• IUPAC Name: (5R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
• SMILES: C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC(=O)N3)C1
• InChI: InChI=1S/C21H21ClF3N5O3/c1-10-3-2-6-30(9-10)20-28-17-16(19(33)29-20)12(8-15(31)27-17)18(32)26-11-4-5-14(22)13(7-11)21(23,24)25/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H,26,32)(H2,27,28,29,31,33)/t10-,12-/m1/s1
• InChIKey: XPTCASQGILNLQU-ZYHUDNBSSA-N
• XLogP: 3.74
• TPSA: 107.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.88
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?

The IUPAC name of (5R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (CID 137027988) is (5R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.

What is the SMILES notation for (5R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?

The canonical SMILES for (5R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC(=O)N3)C1.

What is the InChIKey of (5R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?

The InChIKey is XPTCASQGILNLQU-ZYHUDNBSSA-N. The full InChI is InChI=1S/C21H21ClF3N5O3/c1-10-3-2-6-30(9-10)20-28-17-16(19(33)29-20)12(8-15(31)27-17)18(32)26-11-4-5-14(22)13(7-11)21(23,24)25/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H,26,32)(H2,27,28,29,31,33)/t10-,12-/m1/s1.

What are the key properties of (5R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?

(5R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 483.88 g/mol, XLogP of 3.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 137027988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).