N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide

C19H21N5O2 — CID 72792632

IUPACN-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1ncnc(Cn2cc(C(=O)NCC3CC3)c3ncccc32)c1C
InChIInChI=1S/C19H21N5O2/c1-12-15(22-11-23-19(12)26-2)10-24-9-14(17-16(24)4-3-7-20-17)18(25)21-8-13-5-6-13/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3,(H,21,25)
InChIKeyGCCAOKMZMSWVKK-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.33
Rot. Bonds6

About N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide

N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 72792632) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID72792632
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1ncnc(Cn2cc(C(=O)NCC3CC3)c3ncccc32)c1C
InChIInChI=1S/C19H21N5O2/c1-12-15(22-11-23-19(12)26-2)10-24-9-14(17-16(24)4-3-7-20-17)18(25)21-8-13-5-6-13/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3,(H,21,25)
InChIKeyGCCAOKMZMSWVKK-UHFFFAOYSA-N
XLogP2.33
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (CID 72792632) is N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is COc1ncnc(Cn2cc(C(=O)NCC3CC3)c3ncccc32)c1C.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is GCCAOKMZMSWVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-15(22-11-23-19(12)26-2)10-24-9-14(17-16(24)4-3-7-20-17)18(25)21-8-13-5-6-13/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3,(H,21,25).
What are the key properties of N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 72792632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).