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

C19H20N4O3 — CID 87126859

IUPACN-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-ethynylpyridine-3-carboxamide
SMILESC#Cc1cncc(C(=O)Nc2ccc(OC)c(C(=O)NCCCN)c2)c1
InChIInChI=1S/C19H20N4O3/c1-3-13-9-14(12-21-11-13)18(24)23-15-5-6-17(26-2)16(10-15)19(25)22-8-4-7-20/h1,5-6,9-12H,4,7-8,20H2,2H3,(H,22,25)(H,23,24)
InChIKeyXDOOSJKDYBNLMF-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.40
Rot. Bonds7

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

N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-ethynylpyridine-3-carboxamide (PubChem CID 87126859) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-ethynylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-ethynylpyridine-3-carboxamide
PubChem CID87126859
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-ethynylpyridine-3-carboxamide
SMILESC#Cc1cncc(C(=O)Nc2ccc(OC)c(C(=O)NCCCN)c2)c1
InChIInChI=1S/C19H20N4O3/c1-3-13-9-14(12-21-11-13)18(24)23-15-5-6-17(26-2)16(10-15)19(25)22-8-4-7-20/h1,5-6,9-12H,4,7-8,20H2,2H3,(H,22,25)(H,23,24)
InChIKeyXDOOSJKDYBNLMF-UHFFFAOYSA-N
XLogP1.40
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-cyclopropylpyridine-3-carboxamide
CID 66728054
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-(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
4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045361
5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103654
3-N-(3-methoxypropyl)-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-dicarboxamide
CID 109103690
3-N-(3-aminopropyl)-4-methoxy-1-N-pyrazolo[1,5-a]pyrimidin-2-ylbenzene-1,3-dicarboxamide
CID 140608368
3-N-(3-aminopropyl)-1-N-(1H-indazol-3-yl)-4-methoxybenzene-1,3-dicarboxamide
CID 140608395

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-ethynylpyridine-3-carboxamide?
The IUPAC name of N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-ethynylpyridine-3-carboxamide (CID 87126859) is N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-ethynylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-ethynylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-ethynylpyridine-3-carboxamide is C#Cc1cncc(C(=O)Nc2ccc(OC)c(C(=O)NCCCN)c2)c1.
What is the InChIKey of N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-ethynylpyridine-3-carboxamide?
The InChIKey is XDOOSJKDYBNLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-3-13-9-14(12-21-11-13)18(24)23-15-5-6-17(26-2)16(10-15)19(25)22-8-4-7-20/h1,5-6,9-12H,4,7-8,20H2,2H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-ethynylpyridine-3-carboxamide?
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-ethynylpyridine-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 1.40, 7 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-ethynylpyridine-3-carboxamide is sourced from PubChem (CID 87126859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).