N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-cyclopropylpyridine-3-carboxamide

C20H24N4O3 — CID 66728054

IUPACN-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-cyclopropylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(C3CC3)c2)cc1C(=O)NCCCN
InChIInChI=1S/C20H24N4O3/c1-27-18-6-5-16(10-17(18)20(26)23-8-2-7-21)24-19(25)15-9-14(11-22-12-15)13-3-4-13/h5-6,9-13H,2-4,7-8,21H2,1H3,(H,23,26)(H,24,25)
InChIKeyWVPVUKUFIWIGLN-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.30
Rot. Bonds8

About N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-cyclopropylpyridine-3-carboxamide

N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-cyclopropylpyridine-3-carboxamide (PubChem CID 66728054) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-cyclopropylpyridine-3-carboxamide
PubChem CID66728054
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-cyclopropylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(C3CC3)c2)cc1C(=O)NCCCN
InChIInChI=1S/C20H24N4O3/c1-27-18-6-5-16(10-17(18)20(26)23-8-2-7-21)24-19(25)15-9-14(11-22-12-15)13-3-4-13/h5-6,9-13H,2-4,7-8,21H2,1H3,(H,23,26)(H,24,25)
InChIKeyWVPVUKUFIWIGLN-UHFFFAOYSA-N
XLogP2.30
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-ethynylpyridine-3-carboxamide
CID 87126859
N-(3-aminopropyl)-5-(1,3-benzodioxol-5-ylcarbamoylamino)-2-methoxybenzamide
CID 66748308
N-(3-aminopropyl)-2-methoxy-5-(1,3-thiazol-2-ylcarbamoylamino)benzamide
CID 87134001
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-2-methyl-1H-indole-3-carboxamide
CID 66728085
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-4-(furan-2-yl)pyridine-2-carboxamide
CID 66727957
N-(3,4-dimethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235722
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-3-(2,5-dimethylthiophen-3-yl)-4-methyl-1H-pyrazole-5-carboxamide
CID 66727986
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-3-(3-chlorophenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 66727961
3-N-(3-chloro-4-methoxyphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
CID 109103098
N-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235708
3-N-(3-aminopropyl)-1-N-(1H-indazol-3-yl)-4-methoxybenzene-1,3-dicarboxamide
CID 140608395
3-N-(3-aminopropyl)-4-methoxy-1-N-pyrazolo[1,5-a]pyrimidin-2-ylbenzene-1,3-dicarboxamide
CID 140608368

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-cyclopropylpyridine-3-carboxamide?
The IUPAC name of N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-cyclopropylpyridine-3-carboxamide (CID 66728054) is N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-cyclopropylpyridine-3-carboxamide is COc1ccc(NC(=O)c2cncc(C3CC3)c2)cc1C(=O)NCCCN.
What is the InChIKey of N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-cyclopropylpyridine-3-carboxamide?
The InChIKey is WVPVUKUFIWIGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-27-18-6-5-16(10-17(18)20(26)23-8-2-7-21)24-19(25)15-9-14(11-22-12-15)13-3-4-13/h5-6,9-13H,2-4,7-8,21H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-cyclopropylpyridine-3-carboxamide?
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-cyclopropylpyridine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.30, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 66728054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).