N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide

C14H18N4OS — CID 82331245

IUPACN-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide
SMILESCc1ccc(N)c(NCCCNC(=O)c2cccs2)n1
InChIInChI=1S/C14H18N4OS/c1-10-5-6-11(15)13(18-10)16-7-3-8-17-14(19)12-4-2-9-20-12/h2,4-6,9H,3,7-8,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyBYPWICZNGHDRMS-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.27
Rot. Bonds6

About N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide

N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide (PubChem CID 82331245) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide
PubChem CID82331245
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide
SMILESCc1ccc(N)c(NCCCNC(=O)c2cccs2)n1
InChIInChI=1S/C14H18N4OS/c1-10-5-6-11(15)13(18-10)16-7-3-8-17-14(19)12-4-2-9-20-12/h2,4-6,9H,3,7-8,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyBYPWICZNGHDRMS-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-4-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide
CID 82331271
N-[4-[(3-amino-6-methyl-2-pyridinyl)amino]butyl]acetamide
CID 82331581
N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiophene-2-carboxamide
CID 20819526
3-(thiophene-2-carbonylamino)propyl acetate
CID 84560045
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-[3-(4-nitroanilino)propyl]thiophene-2-carboxamide
CID 3110729
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
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
4,4-dimethyl-6-(thiophene-2-carbonylamino)hexanoic acid
CID 65284024
N-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120561874

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide (CID 82331245) is N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide is Cc1ccc(N)c(NCCCNC(=O)c2cccs2)n1.
What is the InChIKey of N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide?
The InChIKey is BYPWICZNGHDRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10-5-6-11(15)13(18-10)16-7-3-8-17-14(19)12-4-2-9-20-12/h2,4-6,9H,3,7-8,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide?
N-[3-[(3-amino-6-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-6-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 82331245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).