N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide

C15H20N4O — CID 74249016

IUPACN-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide
SMILESCc1cccnc1[C@H](C)NC(=O)CCCc1cn[nH]c1
InChIInChI=1S/C15H20N4O/c1-11-5-4-8-16-15(11)12(2)19-14(20)7-3-6-13-9-17-18-10-13/h4-5,8-10,12H,3,6-7H2,1-2H3,(H,17,18)(H,19,20)/t12-/m0/s1
InChIKeyOCPFLAXULGYVMF-LBPRGKRZSA-N
MW272.35 g/mol
LogP2.31
Rot. Bonds6

About N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide

N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide (PubChem CID 74249016) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide
PubChem CID74249016
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide
SMILESCc1cccnc1[C@H](C)NC(=O)CCCc1cn[nH]c1
InChIInChI=1S/C15H20N4O/c1-11-5-4-8-16-15(11)12(2)19-14(20)7-3-6-13-9-17-18-10-13/h4-5,8-10,12H,3,6-7H2,1-2H3,(H,17,18)(H,19,20)/t12-/m0/s1
InChIKeyOCPFLAXULGYVMF-LBPRGKRZSA-N
XLogP2.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide (CID 74249016) is N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide is Cc1cccnc1[C@H](C)NC(=O)CCCc1cn[nH]c1.
What is the InChIKey of N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide?
The InChIKey is OCPFLAXULGYVMF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-5-4-8-16-15(11)12(2)19-14(20)7-3-6-13-9-17-18-10-13/h4-5,8-10,12H,3,6-7H2,1-2H3,(H,17,18)(H,19,20)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide?
N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide has a molecular weight of 272.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 74249016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).