N-(4-amino-1-phenylpyrazol-3-yl)-4-[(pyridin-4-ylamino)methyl]benzamide

C22H20N6O — CID 16739102

IUPACN-(4-amino-1-phenylpyrazol-3-yl)-4-[(pyridin-4-ylamino)methyl]benzamide
SMILESNc1cn(-c2ccccc2)nc1NC(=O)c1ccc(CNc2ccncc2)cc1
InChIInChI=1S/C22H20N6O/c23-20-15-28(19-4-2-1-3-5-19)27-21(20)26-22(29)17-8-6-16(7-9-17)14-25-18-10-12-24-13-11-18/h1-13,15H,14,23H2,(H,24,25)(H,26,27,29)
InChIKeySIGKQPZCSIITQE-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.71
Rot. Bonds6

About N-(4-amino-1-phenylpyrazol-3-yl)-4-[(pyridin-4-ylamino)methyl]benzamide

N-(4-amino-1-phenylpyrazol-3-yl)-4-[(pyridin-4-ylamino)methyl]benzamide (PubChem CID 16739102) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(4-amino-1-phenylpyrazol-3-yl)-4-[(pyridin-4-ylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(4-amino-1-phenylpyrazol-3-yl)-4-[(pyridin-4-ylamino)methyl]benzamide
PubChem CID16739102
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC NameN-(4-amino-1-phenylpyrazol-3-yl)-4-[(pyridin-4-ylamino)methyl]benzamide
SMILESNc1cn(-c2ccccc2)nc1NC(=O)c1ccc(CNc2ccncc2)cc1
InChIInChI=1S/C22H20N6O/c23-20-15-28(19-4-2-1-3-5-19)27-21(20)26-22(29)17-8-6-16(7-9-17)14-25-18-10-12-24-13-11-18/h1-13,15H,14,23H2,(H,24,25)(H,26,27,29)
InChIKeySIGKQPZCSIITQE-UHFFFAOYSA-N
XLogP3.71
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-phenylpyrazol-3-yl)-4-[(pyridin-4-ylamino)methyl]benzamide?
The IUPAC name of N-(4-amino-1-phenylpyrazol-3-yl)-4-[(pyridin-4-ylamino)methyl]benzamide (CID 16739102) is N-(4-amino-1-phenylpyrazol-3-yl)-4-[(pyridin-4-ylamino)methyl]benzamide.
What is the SMILES notation for N-(4-amino-1-phenylpyrazol-3-yl)-4-[(pyridin-4-ylamino)methyl]benzamide?
The canonical SMILES for N-(4-amino-1-phenylpyrazol-3-yl)-4-[(pyridin-4-ylamino)methyl]benzamide is Nc1cn(-c2ccccc2)nc1NC(=O)c1ccc(CNc2ccncc2)cc1.
What is the InChIKey of N-(4-amino-1-phenylpyrazol-3-yl)-4-[(pyridin-4-ylamino)methyl]benzamide?
The InChIKey is SIGKQPZCSIITQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c23-20-15-28(19-4-2-1-3-5-19)27-21(20)26-22(29)17-8-6-16(7-9-17)14-25-18-10-12-24-13-11-18/h1-13,15H,14,23H2,(H,24,25)(H,26,27,29).
What are the key properties of N-(4-amino-1-phenylpyrazol-3-yl)-4-[(pyridin-4-ylamino)methyl]benzamide?
N-(4-amino-1-phenylpyrazol-3-yl)-4-[(pyridin-4-ylamino)methyl]benzamide has a molecular weight of 384.44 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-phenylpyrazol-3-yl)-4-[(pyridin-4-ylamino)methyl]benzamide is sourced from PubChem (CID 16739102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).