N-[3-[(3-amino-4-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide

C14H18N4OS — CID 82331271

IUPACN-[3-[(3-amino-4-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide
SMILESCc1ccnc(NCCCNC(=O)c2cccs2)c1N
InChIInChI=1S/C14H18N4OS/c1-10-5-8-17-13(12(10)15)16-6-3-7-18-14(19)11-4-2-9-20-11/h2,4-5,8-9H,3,6-7,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyTWAZRWUKTVAEGI-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.27
Rot. Bonds6

About N-[3-[(3-amino-4-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide

N-[3-[(3-amino-4-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide (PubChem CID 82331271) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[3-[(3-amino-4-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-amino-4-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide
PubChem CID82331271
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[3-[(3-amino-4-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide
SMILESCc1ccnc(NCCCNC(=O)c2cccs2)c1N
InChIInChI=1S/C14H18N4OS/c1-10-5-8-17-13(12(10)15)16-6-3-7-18-14(19)11-4-2-9-20-11/h2,4-5,8-9H,3,6-7,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyTWAZRWUKTVAEGI-UHFFFAOYSA-N
XLogP2.27
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.27
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-amino-6-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide
CID 82331245
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide
CID 131963289
N-[2-[(3-amino-4-methyl-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide
CID 82331288
N-[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 51274545
N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiophene-2-carboxamide
CID 20819526
N-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide
CID 15231495
3-(thiophene-2-carbonylamino)propyl acetate
CID 84560045
2-N-hex-5-ynyl-4-methylpyridine-2,3-diamine
CID 106215731
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-[3-[(2-amino-2-methylpentanoyl)amino]propyl]thiophene-2-carboxamide;hydrochloride
CID 119764489
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-amino-4-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(3-amino-4-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide (CID 82331271) is N-[3-[(3-amino-4-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(3-amino-4-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(3-amino-4-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide is Cc1ccnc(NCCCNC(=O)c2cccs2)c1N.
What is the InChIKey of N-[3-[(3-amino-4-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide?
The InChIKey is TWAZRWUKTVAEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10-5-8-17-13(12(10)15)16-6-3-7-18-14(19)11-4-2-9-20-11/h2,4-5,8-9H,3,6-7,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[3-[(3-amino-4-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide?
N-[3-[(3-amino-4-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-amino-4-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 82331271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).