N-ethyl-4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxamide

C18H26N6O2 — CID 118146871

IUPACN-ethyl-4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(Nc2ncc3ccc(=O)n(C(C)C)c3n2)CC1
InChIInChI=1S/C18H26N6O2/c1-4-19-18(26)23-9-7-14(8-10-23)21-17-20-11-13-5-6-15(25)24(12(2)3)16(13)22-17/h5-6,11-12,14H,4,7-10H2,1-3H3,(H,19,26)(H,20,21,22)
InChIKeyYTNDEFNPJUZDTP-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.98
Rot. Bonds4

About N-ethyl-4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxamide

N-ethyl-4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxamide (PubChem CID 118146871) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-ethyl-4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxamide
PubChem CID118146871
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-ethyl-4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(Nc2ncc3ccc(=O)n(C(C)C)c3n2)CC1
InChIInChI=1S/C18H26N6O2/c1-4-19-18(26)23-9-7-14(8-10-23)21-17-20-11-13-5-6-15(25)24(12(2)3)16(13)22-17/h5-6,11-12,14H,4,7-10H2,1-3H3,(H,19,26)(H,20,21,22)
InChIKeyYTNDEFNPJUZDTP-UHFFFAOYSA-N
XLogP1.98
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxamide (CID 118146871) is N-ethyl-4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxamide is CCNC(=O)N1CCC(Nc2ncc3ccc(=O)n(C(C)C)c3n2)CC1.
What is the InChIKey of N-ethyl-4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxamide?
The InChIKey is YTNDEFNPJUZDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-4-19-18(26)23-9-7-14(8-10-23)21-17-20-11-13-5-6-15(25)24(12(2)3)16(13)22-17/h5-6,11-12,14H,4,7-10H2,1-3H3,(H,19,26)(H,20,21,22).
What are the key properties of N-ethyl-4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxamide?
N-ethyl-4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 118146871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).