N-(4-cyanophenyl)-4-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]butanamide

C20H23N5O — CID 50954484

IUPACN-(4-cyanophenyl)-4-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]butanamide
SMILESCn1cc(C2=CCN(CCCC(=O)Nc3ccc(C#N)cc3)CC2)cn1
InChIInChI=1S/C20H23N5O/c1-24-15-18(14-22-24)17-8-11-25(12-9-17)10-2-3-20(26)23-19-6-4-16(13-21)5-7-19/h4-8,14-15H,2-3,9-12H2,1H3,(H,23,26)
InChIKeyDEYXJKIZFCQFDH-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.80
Rot. Bonds6

About N-(4-cyanophenyl)-4-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]butanamide

N-(4-cyanophenyl)-4-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]butanamide (PubChem CID 50954484) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]butanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]butanamide
PubChem CID50954484
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-(4-cyanophenyl)-4-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]butanamide
SMILESCn1cc(C2=CCN(CCCC(=O)Nc3ccc(C#N)cc3)CC2)cn1
InChIInChI=1S/C20H23N5O/c1-24-15-18(14-22-24)17-8-11-25(12-9-17)10-2-3-20(26)23-19-6-4-16(13-21)5-7-19/h4-8,14-15H,2-3,9-12H2,1H3,(H,23,26)
InChIKeyDEYXJKIZFCQFDH-UHFFFAOYSA-N
XLogP2.80
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
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CID 1244086
(E)-N-(2-aminophenyl)-3-[1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]prop-2-enamide
CID 60198484
N-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560356
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-methylpropanamide
CID 132214685
(2R)-2-[2-(4-cyanophenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
CID 156014665
N-[4-(diethylamino)phenyl]-1-ethyl-1H-pyrazole-4-carboxamide
CID 3367465
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methylphenyl)propanamide
CID 9550893
1-[3-({[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)propyl]-2-pyrrolidinone
CID 16191024
1-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide
CID 24791152
N-(4-isopropylphenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24793068
N-(4-isopropylphenyl)-1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinamine
CID 24817215

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]butanamide?
The IUPAC name of N-(4-cyanophenyl)-4-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]butanamide (CID 50954484) is N-(4-cyanophenyl)-4-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]butanamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]butanamide?
The canonical SMILES for N-(4-cyanophenyl)-4-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]butanamide is Cn1cc(C2=CCN(CCCC(=O)Nc3ccc(C#N)cc3)CC2)cn1.
What is the InChIKey of N-(4-cyanophenyl)-4-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]butanamide?
The InChIKey is DEYXJKIZFCQFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-24-15-18(14-22-24)17-8-11-25(12-9-17)10-2-3-20(26)23-19-6-4-16(13-21)5-7-19/h4-8,14-15H,2-3,9-12H2,1H3,(H,23,26).
What are the key properties of N-(4-cyanophenyl)-4-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]butanamide?
N-(4-cyanophenyl)-4-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]butanamide has a molecular weight of 349.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]butanamide is sourced from PubChem (CID 50954484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).