(2S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide

C16H23N5O — CID 94176904

IUPAC(2S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide
SMILESCCN(CC)c1ccc(CNC(=O)[C@H](C)n2cccn2)cn1
InChIInChI=1S/C16H23N5O/c1-4-20(5-2)15-8-7-14(11-17-15)12-18-16(22)13(3)21-10-6-9-19-21/h6-11,13H,4-5,12H2,1-3H3,(H,18,22)/t13-/m0/s1
InChIKeyAGDNBAIIAVQGHU-ZDUSSCGKSA-N
MW301.39 g/mol
LogP2.00
Rot. Bonds7

About (2S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide

(2S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide (PubChem CID 94176904) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide
PubChem CID94176904
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(2S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide
SMILESCCN(CC)c1ccc(CNC(=O)[C@H](C)n2cccn2)cn1
InChIInChI=1S/C16H23N5O/c1-4-20(5-2)15-8-7-14(11-17-15)12-18-16(22)13(3)21-10-6-9-19-21/h6-11,13H,4-5,12H2,1-3H3,(H,18,22)/t13-/m0/s1
InChIKeyAGDNBAIIAVQGHU-ZDUSSCGKSA-N
XLogP2.00
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide
CID 94176903
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119846374
2-benzylsulfanyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]propanamide
CID 55849326
6-(diethylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 48656563
1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454346
2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide
CID 119946492
2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpropanamide
CID 119846340
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56539953
2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide
CID 119846342
(2R)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349453
(2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349454
(2R)-2-(4-chloro-2-methylphenoxy)-N-[[6-(diethylamino)-3-pyridinyl]methyl]propanamide
CID 51725187

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide (CID 94176904) is (2S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide is CCN(CC)c1ccc(CNC(=O)[C@H](C)n2cccn2)cn1.
What is the InChIKey of (2S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is AGDNBAIIAVQGHU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O/c1-4-20(5-2)15-8-7-14(11-17-15)12-18-16(22)13(3)21-10-6-9-19-21/h6-11,13H,4-5,12H2,1-3H3,(H,18,22)/t13-/m0/s1.
What are the key properties of (2S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide?
(2S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 301.39 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 94176904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).