N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-pyridin-2-ylpyrazol-3-yl)methyl]formamide

C17H23N5O — CID 146146197

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-pyridin-2-ylpyrazol-3-yl)methyl]formamide
SMILESCCN1CCCC1CN(C=O)Cc1ccnn1-c1ccccn1
InChIInChI=1S/C17H23N5O/c1-2-21-11-5-6-15(21)12-20(14-23)13-16-8-10-19-22(16)17-7-3-4-9-18-17/h3-4,7-10,14-15H,2,5-6,11-13H2,1H3
InChIKeyGWNYNBKSTSHMMY-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.71
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-pyridin-2-ylpyrazol-3-yl)methyl]formamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-pyridin-2-ylpyrazol-3-yl)methyl]formamide (PubChem CID 146146197) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-pyridin-2-ylpyrazol-3-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-pyridin-2-ylpyrazol-3-yl)methyl]formamide
PubChem CID146146197
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-pyridin-2-ylpyrazol-3-yl)methyl]formamide
SMILESCCN1CCCC1CN(C=O)Cc1ccnn1-c1ccccn1
InChIInChI=1S/C17H23N5O/c1-2-21-11-5-6-15(21)12-20(14-23)13-16-8-10-19-22(16)17-7-3-4-9-18-17/h3-4,7-10,14-15H,2,5-6,11-13H2,1H3
InChIKeyGWNYNBKSTSHMMY-UHFFFAOYSA-N
XLogP1.71
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[[(1-ethylpyrrolidin-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 16676879
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[2-[(2S)-oxan-2-yl]pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 51595296
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
CID 51631550
1-(1-ethylpyrrolidin-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)methanamine
CID 46961939
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 16677092
N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 51631520
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]pyridin-2-amine
CID 79313468
N-[(2-chlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 46961800
N-[(2-chlorophenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 51623399
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline
CID 79303405
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,2-dimethyl-3-morpholin-4-yl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 51595242
1-(1-ethylpyrrolidin-2-yl)-N-[(5-phenyltriazolidin-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 73305871

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-pyridin-2-ylpyrazol-3-yl)methyl]formamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-pyridin-2-ylpyrazol-3-yl)methyl]formamide (CID 146146197) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-pyridin-2-ylpyrazol-3-yl)methyl]formamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-pyridin-2-ylpyrazol-3-yl)methyl]formamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-pyridin-2-ylpyrazol-3-yl)methyl]formamide is CCN1CCCC1CN(C=O)Cc1ccnn1-c1ccccn1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-pyridin-2-ylpyrazol-3-yl)methyl]formamide?
The InChIKey is GWNYNBKSTSHMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-2-21-11-5-6-15(21)12-20(14-23)13-16-8-10-19-22(16)17-7-3-4-9-18-17/h3-4,7-10,14-15H,2,5-6,11-13H2,1H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-pyridin-2-ylpyrazol-3-yl)methyl]formamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-pyridin-2-ylpyrazol-3-yl)methyl]formamide has a molecular weight of 313.40 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-pyridin-2-ylpyrazol-3-yl)methyl]formamide is sourced from PubChem (CID 146146197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).