1-methyl-2,4-dioxo-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide

C17H21N5O3 — CID 90648225

IUPAC1-methyl-2,4-dioxo-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide
SMILESCn1cc(C(=O)NCC2CCCN(c3ccccn3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C17H21N5O3/c1-21-11-13(16(24)20-17(21)25)15(23)19-9-12-5-4-8-22(10-12)14-6-2-3-7-18-14/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,19,23)(H,20,24,25)
InChIKeyZXNFUZNMIULOOH-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.12
Rot. Bonds4

About 1-methyl-2,4-dioxo-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide

1-methyl-2,4-dioxo-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 90648225) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-methyl-2,4-dioxo-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-2,4-dioxo-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide
PubChem CID90648225
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1-methyl-2,4-dioxo-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide
SMILESCn1cc(C(=O)NCC2CCCN(c3ccccn3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C17H21N5O3/c1-21-11-13(16(24)20-17(21)25)15(23)19-9-12-5-4-8-22(10-12)14-6-2-3-7-18-14/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,19,23)(H,20,24,25)
InChIKeyZXNFUZNMIULOOH-UHFFFAOYSA-N
XLogP0.12
TPSA100.09 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 ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-methyl-2,4-dioxo-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 91789394
6-cyano-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 91844279
6-cyano-N-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide
CID 124752431
2-(benzotriazol-2-yl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]acetamide
CID 91779081
3-(methanesulfonamido)-N-[[(3R)-1-pyridin-2-ylpiperidin-3-yl]methyl]propanamide
CID 124749653
N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]pyridine-2-carboxamide
CID 137205321
N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 91760004
3-phenyl-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrazolidine-4-carboxamide
CID 134081045
N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide
CID 90652236
2-oxo-6-propan-2-yl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]-1H-pyridine-3-carboxamide
CID 124983244
1-(2-methoxyacetyl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide
CID 72923083
N-ethyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
CID 24719420

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4-dioxo-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 1-methyl-2,4-dioxo-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide (CID 90648225) is 1-methyl-2,4-dioxo-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 1-methyl-2,4-dioxo-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 1-methyl-2,4-dioxo-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide is Cn1cc(C(=O)NCC2CCCN(c3ccccn3)C2)c(=O)[nH]c1=O.
What is the InChIKey of 1-methyl-2,4-dioxo-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is ZXNFUZNMIULOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-21-11-13(16(24)20-17(21)25)15(23)19-9-12-5-4-8-22(10-12)14-6-2-3-7-18-14/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,19,23)(H,20,24,25).
What are the key properties of 1-methyl-2,4-dioxo-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide?
1-methyl-2,4-dioxo-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4-dioxo-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 90648225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).