N-pyridin-2-ylpyrimido[4,5-b]indolizine-10-carboxamide

C16H11N5O — CID 142925546

IUPACN-pyridin-2-ylpyrimido[4,5-b]indolizine-10-carboxamide
SMILESO=C(Nc1ccccn1)c1c2ncncc2n2ccccc12
InChIInChI=1S/C16H11N5O/c22-16(20-13-6-1-3-7-18-13)14-11-5-2-4-8-21(11)12-9-17-10-19-15(12)14/h1-10H,(H,18,20,22)
InChIKeyUYSFMROFTNMMED-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.53
Rot. Bonds2

About N-pyridin-2-ylpyrimido[4,5-b]indolizine-10-carboxamide

N-pyridin-2-ylpyrimido[4,5-b]indolizine-10-carboxamide (PubChem CID 142925546) has the molecular formula C16H11N5O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-pyridin-2-ylpyrimido[4,5-b]indolizine-10-carboxamide.

Molecular Properties

Compound NameN-pyridin-2-ylpyrimido[4,5-b]indolizine-10-carboxamide
PubChem CID142925546
Molecular FormulaC16H11N5O
Molecular Weight289.30 g/mol
Exact Mass289.10
IUPAC NameN-pyridin-2-ylpyrimido[4,5-b]indolizine-10-carboxamide
SMILESO=C(Nc1ccccn1)c1c2ncncc2n2ccccc12
InChIInChI=1S/C16H11N5O/c22-16(20-13-6-1-3-7-18-13)14-11-5-2-4-8-21(11)12-9-17-10-19-15(12)14/h1-10H,(H,18,20,22)
InChIKeyUYSFMROFTNMMED-UHFFFAOYSA-N
XLogP2.53
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-ylpyrimido[4,5-b]indolizine-10-carboxamide?
The IUPAC name of N-pyridin-2-ylpyrimido[4,5-b]indolizine-10-carboxamide (CID 142925546) is N-pyridin-2-ylpyrimido[4,5-b]indolizine-10-carboxamide.
What is the SMILES notation for N-pyridin-2-ylpyrimido[4,5-b]indolizine-10-carboxamide?
The canonical SMILES for N-pyridin-2-ylpyrimido[4,5-b]indolizine-10-carboxamide is O=C(Nc1ccccn1)c1c2ncncc2n2ccccc12.
What is the InChIKey of N-pyridin-2-ylpyrimido[4,5-b]indolizine-10-carboxamide?
The InChIKey is UYSFMROFTNMMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O/c22-16(20-13-6-1-3-7-18-13)14-11-5-2-4-8-21(11)12-9-17-10-19-15(12)14/h1-10H,(H,18,20,22).
What are the key properties of N-pyridin-2-ylpyrimido[4,5-b]indolizine-10-carboxamide?
N-pyridin-2-ylpyrimido[4,5-b]indolizine-10-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-ylpyrimido[4,5-b]indolizine-10-carboxamide is sourced from PubChem (CID 142925546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).