2-[(3R)-3-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl]piperidin-1-yl]acetamide

C19H27N5O3 — CID 136699248

IUPAC2-[(3R)-3-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC[C@@H](C(=O)N2CCc3c(nc(CC4CC4)[nH]c3=O)C2)C1
InChIInChI=1S/C19H27N5O3/c20-16(25)11-23-6-1-2-13(9-23)19(27)24-7-5-14-15(10-24)21-17(22-18(14)26)8-12-3-4-12/h12-13H,1-11H2,(H2,20,25)(H,21,22,26)/t13-/m1/s1
InChIKeyNTDCLHRVPRCSOS-CYBMUJFWSA-N
MW373.46 g/mol
LogP-0.20
Rot. Bonds5

About 2-[(3R)-3-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl]piperidin-1-yl]acetamide

2-[(3R)-3-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl]piperidin-1-yl]acetamide (PubChem CID 136699248) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[(3R)-3-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl]piperidin-1-yl]acetamide
PubChem CID136699248
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name2-[(3R)-3-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC[C@@H](C(=O)N2CCc3c(nc(CC4CC4)[nH]c3=O)C2)C1
InChIInChI=1S/C19H27N5O3/c20-16(25)11-23-6-1-2-13(9-23)19(27)24-7-5-14-15(10-24)21-17(22-18(14)26)8-12-3-4-12/h12-13H,1-11H2,(H2,20,25)(H,21,22,26)/t13-/m1/s1
InChIKeyNTDCLHRVPRCSOS-CYBMUJFWSA-N
XLogP-0.20
TPSA112.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[(3R)-3-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl]piperidin-1-yl]acetamide (CID 136699248) is 2-[(3R)-3-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[(3R)-3-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[(3R)-3-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl]piperidin-1-yl]acetamide is NC(=O)CN1CCC[C@@H](C(=O)N2CCc3c(nc(CC4CC4)[nH]c3=O)C2)C1.
What is the InChIKey of 2-[(3R)-3-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl]piperidin-1-yl]acetamide?
The InChIKey is NTDCLHRVPRCSOS-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H27N5O3/c20-16(25)11-23-6-1-2-13(9-23)19(27)24-7-5-14-15(10-24)21-17(22-18(14)26)8-12-3-4-12/h12-13H,1-11H2,(H2,20,25)(H,21,22,26)/t13-/m1/s1.
What are the key properties of 2-[(3R)-3-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl]piperidin-1-yl]acetamide?
2-[(3R)-3-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl]piperidin-1-yl]acetamide has a molecular weight of 373.46 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 136699248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).