3-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C22H19N5O3 — CID 57445324

IUPAC3-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCOc1ccccc1NC(=O)Nc1ccc(-c2c(C(N)=O)[nH]c3cnccc23)cc1
InChIInChI=1S/C22H19N5O3/c1-30-18-5-3-2-4-16(18)27-22(29)25-14-8-6-13(7-9-14)19-15-10-11-24-12-17(15)26-20(19)21(23)28/h2-12,26H,1H3,(H2,23,28)(H2,25,27,29)
InChIKeyIDFPPGWWPYAHSB-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.98
Rot. Bonds5

About 3-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

3-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 57445324) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 3-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID57445324
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name3-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCOc1ccccc1NC(=O)Nc1ccc(-c2c(C(N)=O)[nH]c3cnccc23)cc1
InChIInChI=1S/C22H19N5O3/c1-30-18-5-3-2-4-16(18)27-22(29)25-14-8-6-13(7-9-14)19-15-10-11-24-12-17(15)26-20(19)21(23)28/h2-12,26H,1H3,(H2,23,28)(H2,25,27,29)
InChIKeyIDFPPGWWPYAHSB-UHFFFAOYSA-N
XLogP3.98
TPSA122.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 57445325
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CID 168763596
1-(2,5-dimethoxyphenyl)-3-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]urea
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1-(2-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]urea
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CID 11696970
1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea
CID 43602334
4-[(2-methoxyphenyl)carbamoylamino]benzoic acid
CID 853793
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CID 71799842
1-(2,3-dihydro-1H-indol-5-yl)-3-(2-methoxyphenyl)urea
CID 63252912
1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)urea
CID 113338786
1-(2-methoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea
CID 165032676
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methoxyphenyl)urea
CID 46381122

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 57445324) is 3-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is COc1ccccc1NC(=O)Nc1ccc(-c2c(C(N)=O)[nH]c3cnccc23)cc1.
What is the InChIKey of 3-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is IDFPPGWWPYAHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-30-18-5-3-2-4-16(18)27-22(29)25-14-8-6-13(7-9-14)19-15-10-11-24-12-17(15)26-20(19)21(23)28/h2-12,26H,1H3,(H2,23,28)(H2,25,27,29).
What are the key properties of 3-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
3-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 57445324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).