4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide

C18H14N6O — CID 59199969

IUPAC4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide
SMILESCc1nc(-c2cccnc2)ncc1C(=O)Nn1ccc2ncccc21
InChIInChI=1S/C18H14N6O/c1-12-14(11-21-17(22-12)13-4-2-7-19-10-13)18(25)23-24-9-6-15-16(24)5-3-8-20-15/h2-11H,1H3,(H,23,25)
InChIKeyIQFKLSDKMYHDGZ-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.58
Rot. Bonds3

About 4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide

4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide (PubChem CID 59199969) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide
PubChem CID59199969
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide
SMILESCc1nc(-c2cccnc2)ncc1C(=O)Nn1ccc2ncccc21
InChIInChI=1S/C18H14N6O/c1-12-14(11-21-17(22-12)13-4-2-7-19-10-13)18(25)23-24-9-6-15-16(24)5-3-8-20-15/h2-11H,1H3,(H,23,25)
InChIKeyIQFKLSDKMYHDGZ-UHFFFAOYSA-N
XLogP2.58
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide (CID 59199969) is 4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide is Cc1nc(-c2cccnc2)ncc1C(=O)Nn1ccc2ncccc21.
What is the InChIKey of 4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide?
The InChIKey is IQFKLSDKMYHDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c1-12-14(11-21-17(22-12)13-4-2-7-19-10-13)18(25)23-24-9-6-15-16(24)5-3-8-20-15/h2-11H,1H3,(H,23,25).
What are the key properties of 4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide?
4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 59199969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).