N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide

C20H23N5O2 — CID 55538549

IUPACN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2ccc(-n3cccn3)nc2)N(C)C)c1
InChIInChI=1S/C20H23N5O2/c1-24(2)18(15-6-4-7-17(12-15)27-3)14-22-20(26)16-8-9-19(21-13-16)25-11-5-10-23-25/h4-13,18H,14H2,1-3H3,(H,22,26)
InChIKeyHSCNHAFTIZCKKJ-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.31
Rot. Bonds7

About N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 55538549) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID55538549
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2ccc(-n3cccn3)nc2)N(C)C)c1
InChIInChI=1S/C20H23N5O2/c1-24(2)18(15-6-4-7-17(12-15)27-3)14-22-20(26)16-8-9-19(21-13-16)25-11-5-10-23-25/h4-13,18H,14H2,1-3H3,(H,22,26)
InChIKeyHSCNHAFTIZCKKJ-UHFFFAOYSA-N
XLogP2.31
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 111115502
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55532269
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide
CID 78803328
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine
CID 111864232
4-bromo-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 78885113
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51283227
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-nitrobenzamide
CID 45001537
2-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 45001535
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 112764496
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55583482
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 51283235

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide (CID 55538549) is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide is COc1cccc(C(CNC(=O)c2ccc(-n3cccn3)nc2)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is HSCNHAFTIZCKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-24(2)18(15-6-4-7-17(12-15)27-3)14-22-20(26)16-8-9-19(21-13-16)25-11-5-10-23-25/h4-13,18H,14H2,1-3H3,(H,22,26).
What are the key properties of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 55538549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).