(3R)-N-[4-(2-cyanopropan-2-yl)phenyl]-3-methyl-1-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide

C23H26N4O — CID 67008368

IUPAC(3R)-N-[4-(2-cyanopropan-2-yl)phenyl]-3-methyl-1-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1cccnc1N1CC=C(C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1
InChIInChI=1S/C23H26N4O/c1-16-6-5-12-25-21(16)27-13-11-20(17(2)14-27)22(28)26-19-9-7-18(8-10-19)23(3,4)15-24/h5-12,17H,13-14H2,1-4H3,(H,26,28)/t17-/m0/s1
InChIKeyJKGUZABHLYVLRL-KRWDZBQOSA-N
MW374.49 g/mol
LogP4.21
Rot. Bonds4

About (3R)-N-[4-(2-cyanopropan-2-yl)phenyl]-3-methyl-1-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide

(3R)-N-[4-(2-cyanopropan-2-yl)phenyl]-3-methyl-1-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 67008368) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is (3R)-N-[4-(2-cyanopropan-2-yl)phenyl]-3-methyl-1-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(2-cyanopropan-2-yl)phenyl]-3-methyl-1-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID67008368
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name(3R)-N-[4-(2-cyanopropan-2-yl)phenyl]-3-methyl-1-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1cccnc1N1CC=C(C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1
InChIInChI=1S/C23H26N4O/c1-16-6-5-12-25-21(16)27-13-11-20(17(2)14-27)22(28)26-19-9-7-18(8-10-19)23(3,4)15-24/h5-12,17H,13-14H2,1-4H3,(H,26,28)/t17-/m0/s1
InChIKeyJKGUZABHLYVLRL-KRWDZBQOSA-N
XLogP4.21
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[4-(2-cyanopropan-2-yl)phenyl]-3-methyl-1-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-N-(4-tert-butylphenyl)-3-methyl-1-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 67007688
(3R)-3-methyl-1-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 67008163
3-methyl-N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 74434300
N-(4-tert-butylphenyl)-4-(3-methyl-2-pyridinyl)-1λ3,4-iodazinane-1-carboxamide
CID 143590862
(3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 58665278
N-(4-tert-butylphenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11474160
2-[[4-(2-cyanopropan-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941581
N-[4-(2-cyanopropan-2-yl)phenyl]-3-hydroxy-4-methylbenzamide
CID 122136192
1-[[4-(2-cyanopropan-2-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075851
N-[4-(2-cyanopropan-2-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285468
4-chloro-N-[4-(2-cyanopropan-2-yl)phenyl]pyridine-3-carboxamide
CID 81228521
N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86847107

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(2-cyanopropan-2-yl)phenyl]-3-methyl-1-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of (3R)-N-[4-(2-cyanopropan-2-yl)phenyl]-3-methyl-1-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide (CID 67008368) is (3R)-N-[4-(2-cyanopropan-2-yl)phenyl]-3-methyl-1-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for (3R)-N-[4-(2-cyanopropan-2-yl)phenyl]-3-methyl-1-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for (3R)-N-[4-(2-cyanopropan-2-yl)phenyl]-3-methyl-1-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide is Cc1cccnc1N1CC=C(C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1.
What is the InChIKey of (3R)-N-[4-(2-cyanopropan-2-yl)phenyl]-3-methyl-1-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is JKGUZABHLYVLRL-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16-6-5-12-25-21(16)27-13-11-20(17(2)14-27)22(28)26-19-9-7-18(8-10-19)23(3,4)15-24/h5-12,17H,13-14H2,1-4H3,(H,26,28)/t17-/m0/s1.
What are the key properties of (3R)-N-[4-(2-cyanopropan-2-yl)phenyl]-3-methyl-1-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
(3R)-N-[4-(2-cyanopropan-2-yl)phenyl]-3-methyl-1-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(2-cyanopropan-2-yl)phenyl]-3-methyl-1-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 67008368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).