N-[3-(cyclopropanecarbonylamino)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide

C20H18N6O2 — CID 66550429

IUPACN-[3-(cyclopropanecarbonylamino)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccnc(Nc2ccncc2)n1
InChIInChI=1S/C20H18N6O2/c27-18(13-4-5-13)23-15-2-1-3-16(12-15)24-19(28)17-8-11-22-20(26-17)25-14-6-9-21-10-7-14/h1-3,6-13H,4-5H2,(H,23,27)(H,24,28)(H,21,22,25,26)
InChIKeyUDBNRPVKTFEUMY-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.22
Rot. Bonds6

About N-[3-(cyclopropanecarbonylamino)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide

N-[3-(cyclopropanecarbonylamino)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide (PubChem CID 66550429) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonylamino)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropanecarbonylamino)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide
PubChem CID66550429
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC NameN-[3-(cyclopropanecarbonylamino)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccnc(Nc2ccncc2)n1
InChIInChI=1S/C20H18N6O2/c27-18(13-4-5-13)23-15-2-1-3-16(12-15)24-19(28)17-8-11-22-20(26-17)25-14-6-9-21-10-7-14/h1-3,6-13H,4-5H2,(H,23,27)(H,24,28)(H,21,22,25,26)
InChIKeyUDBNRPVKTFEUMY-UHFFFAOYSA-N
XLogP3.22
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide (CID 66550429) is N-[3-(cyclopropanecarbonylamino)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-(cyclopropanecarbonylamino)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-(cyclopropanecarbonylamino)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide is O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccnc(Nc2ccncc2)n1.
What is the InChIKey of N-[3-(cyclopropanecarbonylamino)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide?
The InChIKey is UDBNRPVKTFEUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c27-18(13-4-5-13)23-15-2-1-3-16(12-15)24-19(28)17-8-11-22-20(26-17)25-14-6-9-21-10-7-14/h1-3,6-13H,4-5H2,(H,23,27)(H,24,28)(H,21,22,25,26).
What are the key properties of N-[3-(cyclopropanecarbonylamino)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide?
N-[3-(cyclopropanecarbonylamino)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropanecarbonylamino)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 66550429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).