N-[2-(7-aminoheptanoylamino)-4-fluorophenyl]pyridine-2-carboxamide;dihydrochloride

C19H25Cl2FN4O2 — CID 119844812

IUPACN-[2-(7-aminoheptanoylamino)-4-fluorophenyl]pyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCCCCCCC(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1
InChIInChI=1S/C19H23FN4O2.2ClH/c20-14-9-10-15(24-19(26)16-7-4-6-12-22-16)17(13-14)23-18(25)8-3-1-2-5-11-21;;/h4,6-7,9-10,12-13H,1-3,5,8,11,21H2,(H,23,25)(H,24,26);2*1H
InChIKeyIWZRJCANLHZAKL-UHFFFAOYSA-N
MW431.34 g/mol
LogP4.16
Rot. Bonds9

About N-[2-(7-aminoheptanoylamino)-4-fluorophenyl]pyridine-2-carboxamide;dihydrochloride

N-[2-(7-aminoheptanoylamino)-4-fluorophenyl]pyridine-2-carboxamide;dihydrochloride (PubChem CID 119844812) has the molecular formula C19H25Cl2FN4O2 and a molecular weight of 431.34 g/mol. Its IUPAC name is N-[2-(7-aminoheptanoylamino)-4-fluorophenyl]pyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(7-aminoheptanoylamino)-4-fluorophenyl]pyridine-2-carboxamide;dihydrochloride
PubChem CID119844812
Molecular FormulaC19H25Cl2FN4O2
Molecular Weight431.34 g/mol
Exact Mass430.13
IUPAC NameN-[2-(7-aminoheptanoylamino)-4-fluorophenyl]pyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCCCCCCC(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1
InChIInChI=1S/C19H23FN4O2.2ClH/c20-14-9-10-15(24-19(26)16-7-4-6-12-22-16)17(13-14)23-18(25)8-3-1-2-5-11-21;;/h4,6-7,9-10,12-13H,1-3,5,8,11,21H2,(H,23,25)(H,24,26);2*1H
InChIKeyIWZRJCANLHZAKL-UHFFFAOYSA-N
XLogP4.16
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-fluoro-2-[4-(thiophene-3-carbonylamino)butanoylamino]phenyl]pyridine-2-carboxamide
CID 55833499
N-[2-[(2,4-difluorobenzoyl)amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55834647
N-[4-fluoro-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]phenyl]pyridine-2-carboxamide
CID 55834013
7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride
CID 119679598
7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide
CID 119873503
4-amino-N-[5-fluoro-2-(phenylcarbamoylamino)phenyl]butanamide
CID 39192900
N-[2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-fluorophenyl]pyridine-2-carboxamide
CID 76869971
4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride
CID 119262959
2-(6-aminohexanoylamino)-5-fluorobenzoic acid
CID 61157607
N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55984704
3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide
CID 92944450
N-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide
CID 39192988

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-aminoheptanoylamino)-4-fluorophenyl]pyridine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(7-aminoheptanoylamino)-4-fluorophenyl]pyridine-2-carboxamide;dihydrochloride (CID 119844812) is N-[2-(7-aminoheptanoylamino)-4-fluorophenyl]pyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(7-aminoheptanoylamino)-4-fluorophenyl]pyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(7-aminoheptanoylamino)-4-fluorophenyl]pyridine-2-carboxamide;dihydrochloride is Cl.Cl.NCCCCCCC(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1.
What is the InChIKey of N-[2-(7-aminoheptanoylamino)-4-fluorophenyl]pyridine-2-carboxamide;dihydrochloride?
The InChIKey is IWZRJCANLHZAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2.2ClH/c20-14-9-10-15(24-19(26)16-7-4-6-12-22-16)17(13-14)23-18(25)8-3-1-2-5-11-21;;/h4,6-7,9-10,12-13H,1-3,5,8,11,21H2,(H,23,25)(H,24,26);2*1H.
What are the key properties of N-[2-(7-aminoheptanoylamino)-4-fluorophenyl]pyridine-2-carboxamide;dihydrochloride?
N-[2-(7-aminoheptanoylamino)-4-fluorophenyl]pyridine-2-carboxamide;dihydrochloride has a molecular weight of 431.34 g/mol, XLogP of 4.16, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-aminoheptanoylamino)-4-fluorophenyl]pyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119844812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).