2,2-dimethyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-3-yl)propanamide

C17H23N5O — CID 163356401

IUPAC2,2-dimethyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-3-yl)propanamide
SMILESCC(C)(C)C(=O)NC1CCCN(c2ncnc3cnccc23)C1
InChIInChI=1S/C17H23N5O/c1-17(2,3)16(23)21-12-5-4-8-22(10-12)15-13-6-7-18-9-14(13)19-11-20-15/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,21,23)
InChIKeyYJSSTKFUVIADQG-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.16
Rot. Bonds2

About 2,2-dimethyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-3-yl)propanamide

2,2-dimethyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-3-yl)propanamide (PubChem CID 163356401) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-3-yl)propanamide
PubChem CID163356401
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2,2-dimethyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-3-yl)propanamide
SMILESCC(C)(C)C(=O)NC1CCCN(c2ncnc3cnccc23)C1
InChIInChI=1S/C17H23N5O/c1-17(2,3)16(23)21-12-5-4-8-22(10-12)15-13-6-7-18-9-14(13)19-11-20-15/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,21,23)
InChIKeyYJSSTKFUVIADQG-UHFFFAOYSA-N
XLogP2.16
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-1-pyrido[3,4-d]pyrimidin-4-ylpiperidine-3-carboxamide
CID 166600895
N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357922
N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357600
N-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357585
N-methyl-4-pyrido[3,4-d]pyrimidin-4-ylmorpholine-2-carboxamide
CID 166601055
N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357522
N-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357525
2-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 172892260
2,2-dimethyl-N-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]propanamide
CID 166225591
N-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357365
4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine
CID 163347877
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357564

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-3-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-3-yl)propanamide (CID 163356401) is 2,2-dimethyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-3-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-3-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-3-yl)propanamide is CC(C)(C)C(=O)NC1CCCN(c2ncnc3cnccc23)C1.
What is the InChIKey of 2,2-dimethyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-3-yl)propanamide?
The InChIKey is YJSSTKFUVIADQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-17(2,3)16(23)21-12-5-4-8-22(10-12)15-13-6-7-18-9-14(13)19-11-20-15/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,21,23).
What are the key properties of 2,2-dimethyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-3-yl)propanamide?
2,2-dimethyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-3-yl)propanamide has a molecular weight of 313.40 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-3-yl)propanamide is sourced from PubChem (CID 163356401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).