N-tert-butyl-1-pyrido[3,4-d]pyrimidin-4-ylpiperidine-3-carboxamide

C17H23N5O — CID 166600895

IUPACN-tert-butyl-1-pyrido[3,4-d]pyrimidin-4-ylpiperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN(c2ncnc3cnccc23)C1
InChIInChI=1S/C17H23N5O/c1-17(2,3)21-16(23)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)
InChIKeyHJEXYFXSIFMUAX-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.16
Rot. Bonds2

About N-tert-butyl-1-pyrido[3,4-d]pyrimidin-4-ylpiperidine-3-carboxamide

N-tert-butyl-1-pyrido[3,4-d]pyrimidin-4-ylpiperidine-3-carboxamide (PubChem CID 166600895) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-tert-butyl-1-pyrido[3,4-d]pyrimidin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-pyrido[3,4-d]pyrimidin-4-ylpiperidine-3-carboxamide
PubChem CID166600895
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-tert-butyl-1-pyrido[3,4-d]pyrimidin-4-ylpiperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN(c2ncnc3cnccc23)C1
InChIInChI=1S/C17H23N5O/c1-17(2,3)21-16(23)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)
InChIKeyHJEXYFXSIFMUAX-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

2,2-dimethyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-3-yl)propanamide
CID 163356401
N-tert-butyl-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 166602271
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
N-tert-butyl-1-(3-methoxy-2-pyridinyl)piperidine-3-carboxamide
CID 172880737
N-methyl-4-pyrido[3,4-d]pyrimidin-4-ylmorpholine-2-carboxamide
CID 166601055
1-(7-aminoquinazolin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103194356
1-quinazolin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326896
morpholin-4-yl-(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methanone
CID 163354113
(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452556
4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine
CID 163347877
N-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide
CID 165434399
N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 110436254

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-pyrido[3,4-d]pyrimidin-4-ylpiperidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-pyrido[3,4-d]pyrimidin-4-ylpiperidine-3-carboxamide (CID 166600895) is N-tert-butyl-1-pyrido[3,4-d]pyrimidin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-pyrido[3,4-d]pyrimidin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-pyrido[3,4-d]pyrimidin-4-ylpiperidine-3-carboxamide is CC(C)(C)NC(=O)C1CCCN(c2ncnc3cnccc23)C1.
What is the InChIKey of N-tert-butyl-1-pyrido[3,4-d]pyrimidin-4-ylpiperidine-3-carboxamide?
The InChIKey is HJEXYFXSIFMUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-17(2,3)21-16(23)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 N-tert-butyl-1-pyrido[3,4-d]pyrimidin-4-ylpiperidine-3-carboxamide?
N-tert-butyl-1-pyrido[3,4-d]pyrimidin-4-ylpiperidine-3-carboxamide 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 N-tert-butyl-1-pyrido[3,4-d]pyrimidin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 166600895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).