2-amino-N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-3-(3-fluoro-4-hydroxyphenyl)propanamide

C20H26FN5O2 — CID 166298881

IUPAC2-amino-N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-3-(3-fluoro-4-hydroxyphenyl)propanamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)C(N)Cc3ccc(O)c(F)c3)nc2)C1
InChIInChI=1S/C20H26FN5O2/c1-25(2)15-7-8-26(12-15)14-4-6-19(23-11-14)24-20(28)17(22)10-13-3-5-18(27)16(21)9-13/h3-6,9,11,15,17,27H,7-8,10,12,22H2,1-2H3,(H,23,24,28)
InChIKeyHJHRCAPRCASPEM-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.58
Rot. Bonds6

About 2-amino-N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-3-(3-fluoro-4-hydroxyphenyl)propanamide

2-amino-N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-3-(3-fluoro-4-hydroxyphenyl)propanamide (PubChem CID 166298881) has the molecular formula C20H26FN5O2 and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-amino-N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-3-(3-fluoro-4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-3-(3-fluoro-4-hydroxyphenyl)propanamide
PubChem CID166298881
Molecular FormulaC20H26FN5O2
Molecular Weight387.46 g/mol
Exact Mass387.21
IUPAC Name2-amino-N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-3-(3-fluoro-4-hydroxyphenyl)propanamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)C(N)Cc3ccc(O)c(F)c3)nc2)C1
InChIInChI=1S/C20H26FN5O2/c1-25(2)15-7-8-26(12-15)14-4-6-19(23-11-14)24-20(28)17(22)10-13-3-5-18(27)16(21)9-13/h3-6,9,11,15,17,27H,7-8,10,12,22H2,1-2H3,(H,23,24,28)
InChIKeyHJHRCAPRCASPEM-UHFFFAOYSA-N
XLogP1.58
TPSA94.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]acetamide;trihydrochloride
CID 119903679
N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 167839871
1-amino-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide;trihydrochloride
CID 119903665
(2S)-2-amino-N-(5-fluoro-2-pyridinyl)-3-(4-hydroxyphenyl)propanamide
CID 65482263
(2S)-2-amino-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)pentanamide
CID 119855700
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-(6-fluoroindol-1-yl)acetamide
CID 166239841
1-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 83127619
2-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-(3-fluoro-4-hydroxyphenyl)propanamide
CID 166293212
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrrolidine-3-carboxamide;trihydrochloride
CID 119903697
(2S,5R)-5-(aminomethyl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]oxolane-2-carboxamide
CID 120801702
2-(4-bromophenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
CID 113024871
[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol
CID 63164119

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-3-(3-fluoro-4-hydroxyphenyl)propanamide?
The IUPAC name of 2-amino-N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-3-(3-fluoro-4-hydroxyphenyl)propanamide (CID 166298881) is 2-amino-N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-3-(3-fluoro-4-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-amino-N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-3-(3-fluoro-4-hydroxyphenyl)propanamide?
The canonical SMILES for 2-amino-N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-3-(3-fluoro-4-hydroxyphenyl)propanamide is CN(C)C1CCN(c2ccc(NC(=O)C(N)Cc3ccc(O)c(F)c3)nc2)C1.
What is the InChIKey of 2-amino-N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-3-(3-fluoro-4-hydroxyphenyl)propanamide?
The InChIKey is HJHRCAPRCASPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O2/c1-25(2)15-7-8-26(12-15)14-4-6-19(23-11-14)24-20(28)17(22)10-13-3-5-18(27)16(21)9-13/h3-6,9,11,15,17,27H,7-8,10,12,22H2,1-2H3,(H,23,24,28).
What are the key properties of 2-amino-N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-3-(3-fluoro-4-hydroxyphenyl)propanamide?
2-amino-N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-3-(3-fluoro-4-hydroxyphenyl)propanamide has a molecular weight of 387.46 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-3-(3-fluoro-4-hydroxyphenyl)propanamide is sourced from PubChem (CID 166298881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).