N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H21N5O3 — CID 56807969

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)NC3CCN(CC(N)=O)CC3)c(=O)n2c1
InChIInChI=1S/C17H21N5O3/c1-11-2-3-15-19-8-13(17(25)22(15)9-11)16(24)20-12-4-6-21(7-5-12)10-14(18)23/h2-3,8-9,12H,4-7,10H2,1H3,(H2,18,23)(H,20,24)
InChIKeyBYXGISNPIYMFPZ-UHFFFAOYSA-N
MW343.39 g/mol
LogP-0.32
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 56807969) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID56807969
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)NC3CCN(CC(N)=O)CC3)c(=O)n2c1
InChIInChI=1S/C17H21N5O3/c1-11-2-3-15-19-8-13(17(25)22(15)9-11)16(24)20-12-4-6-21(7-5-12)10-14(18)23/h2-3,8-9,12H,4-7,10H2,1H3,(H2,18,23)(H,20,24)
InChIKeyBYXGISNPIYMFPZ-UHFFFAOYSA-N
XLogP-0.32
TPSA109.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cyclopentyl-7-methyl-4-oxo-
CID 3079301
N-cyclopentyl-1-ethyl-2-imino-8-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 15991266
2-hydroxy-8-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458487
N-cyclopentyl-2-imino-8-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 1077519
N-cyclopentyl-2-imino-8-methyl-5-oxo-1-(propan-2-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 1080214
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458488
2-hydroxy-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681071
N-cyclopentyl-6-imino-13-methyl-2-oxo-7-(prop-2-en-1-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 1077410
7-cyclopentyl-N-ethyl-6-imino-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 1077535
N-(Butan-2-YL)-7-methyl-4-oxo-4H-pyrido[1,2-A]pyrimidine-3-carboxamide
CID 20878713
3-(6,9-Diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 176681653
7-methyl-4-oxo-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 99792545

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 56807969) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccc2ncc(C(=O)NC3CCN(CC(N)=O)CC3)c(=O)n2c1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is BYXGISNPIYMFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11-2-3-15-19-8-13(17(25)22(15)9-11)16(24)20-12-4-6-21(7-5-12)10-14(18)23/h2-3,8-9,12H,4-7,10H2,1H3,(H2,18,23)(H,20,24).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56807969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).