N-tert-butyl-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide

C16H23N5O — CID 75378133

IUPACN-tert-butyl-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide
SMILESCC(Nc1ccn(Cc2ccccn2)n1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H23N5O/c1-12(15(22)19-16(2,3)4)18-14-8-10-21(20-14)11-13-7-5-6-9-17-13/h5-10,12H,11H2,1-4H3,(H,18,20)(H,19,22)
InChIKeyNIUFHNHDJPMQOM-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.04
Rot. Bonds5

About N-tert-butyl-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide

N-tert-butyl-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide (PubChem CID 75378133) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-tert-butyl-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide
PubChem CID75378133
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-tert-butyl-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide
SMILESCC(Nc1ccn(Cc2ccccn2)n1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H23N5O/c1-12(15(22)19-16(2,3)4)18-14-8-10-21(20-14)11-13-7-5-6-9-17-13/h5-10,12H,11H2,1-4H3,(H,18,20)(H,19,22)
InChIKeyNIUFHNHDJPMQOM-UHFFFAOYSA-N
XLogP2.04
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide (CID 75378133) is N-tert-butyl-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide is CC(Nc1ccn(Cc2ccccn2)n1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide?
The InChIKey is NIUFHNHDJPMQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12(15(22)19-16(2,3)4)18-14-8-10-21(20-14)11-13-7-5-6-9-17-13/h5-10,12H,11H2,1-4H3,(H,18,20)(H,19,22).
What are the key properties of N-tert-butyl-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide?
N-tert-butyl-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide has a molecular weight of 301.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide is sourced from PubChem (CID 75378133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).