2-amino-6-chloro-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide

C19H23ClN4O3 — CID 136514213

IUPAC2-amino-6-chloro-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
SMILESCOc1cc(OC)cc(N2CCC(CNC(=O)c3cc(N)nc(Cl)c3)C2)c1
InChIInChI=1S/C19H23ClN4O3/c1-26-15-7-14(8-16(9-15)27-2)24-4-3-12(11-24)10-22-19(25)13-5-17(20)23-18(21)6-13/h5-9,12H,3-4,10-11H2,1-2H3,(H2,21,23)(H,22,25)
InChIKeyBERQZXMUYINXKC-UHFFFAOYSA-N
MW390.87 g/mol
LogP2.59
Rot. Bonds6

About 2-amino-6-chloro-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide

2-amino-6-chloro-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide (PubChem CID 136514213) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
PubChem CID136514213
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name2-amino-6-chloro-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
SMILESCOc1cc(OC)cc(N2CCC(CNC(=O)c3cc(N)nc(Cl)c3)C2)c1
InChIInChI=1S/C19H23ClN4O3/c1-26-15-7-14(8-16(9-15)27-2)24-4-3-12(11-24)10-22-19(25)13-5-17(20)23-18(21)6-13/h5-9,12H,3-4,10-11H2,1-2H3,(H2,21,23)(H,22,25)
InChIKeyBERQZXMUYINXKC-UHFFFAOYSA-N
XLogP2.59
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]butanamide
CID 119898755
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 110640547
(2R)-2-amino-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
CID 119898744
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 154750165
(1S,5R)-N-[[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 99848777
1-amino-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
CID 119898769
2-chloro-6-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 62235791
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 110640583
3-amino-5-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81089783
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640530
2-amino-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide;dihydrochloride
CID 119898718
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 129401216

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide (CID 136514213) is 2-amino-6-chloro-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide is COc1cc(OC)cc(N2CCC(CNC(=O)c3cc(N)nc(Cl)c3)C2)c1.
What is the InChIKey of 2-amino-6-chloro-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide?
The InChIKey is BERQZXMUYINXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-26-15-7-14(8-16(9-15)27-2)24-4-3-12(11-24)10-22-19(25)13-5-17(20)23-18(21)6-13/h5-9,12H,3-4,10-11H2,1-2H3,(H2,21,23)(H,22,25).
What are the key properties of 2-amino-6-chloro-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide?
2-amino-6-chloro-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 136514213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).