N-[2-[(4-methylpyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

C27H23N5O2 — CID 166329178

IUPACN-[2-[(4-methylpyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCc1ccncc1C(=O)NC(CNC(=O)c1ccnc2[nH]ccc12)c1ccc2ccccc2c1
InChIInChI=1S/C27H23N5O2/c1-17-8-11-28-15-23(17)27(34)32-24(20-7-6-18-4-2-3-5-19(18)14-20)16-31-26(33)22-10-13-30-25-21(22)9-12-29-25/h2-15,24H,16H2,1H3,(H,29,30)(H,31,33)(H,32,34)
InChIKeyKVOFFJSOBIRFGT-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.32
Rot. Bonds6

About N-[2-[(4-methylpyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

N-[2-[(4-methylpyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 166329178) has the molecular formula C27H23N5O2 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[2-[(4-methylpyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methylpyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
PubChem CID166329178
Molecular FormulaC27H23N5O2
Molecular Weight449.51 g/mol
Exact Mass449.19
IUPAC NameN-[2-[(4-methylpyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCc1ccncc1C(=O)NC(CNC(=O)c1ccnc2[nH]ccc12)c1ccc2ccccc2c1
InChIInChI=1S/C27H23N5O2/c1-17-8-11-28-15-23(17)27(34)32-24(20-7-6-18-4-2-3-5-19(18)14-20)16-31-26(33)22-10-13-30-25-21(22)9-12-29-25/h2-15,24H,16H2,1H3,(H,29,30)(H,31,33)(H,32,34)
InChIKeyKVOFFJSOBIRFGT-UHFFFAOYSA-N
XLogP4.32
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylpyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(4-methylpyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (CID 166329178) is N-[2-[(4-methylpyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(4-methylpyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(4-methylpyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is Cc1ccncc1C(=O)NC(CNC(=O)c1ccnc2[nH]ccc12)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[(4-methylpyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The InChIKey is KVOFFJSOBIRFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2/c1-17-8-11-28-15-23(17)27(34)32-24(20-7-6-18-4-2-3-5-19(18)14-20)16-31-26(33)22-10-13-30-25-21(22)9-12-29-25/h2-15,24H,16H2,1H3,(H,29,30)(H,31,33)(H,32,34).
What are the key properties of N-[2-[(4-methylpyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
N-[2-[(4-methylpyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylpyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 166329178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).