4-[1-amino-2-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide

C23H27F2N5O2 — CID 86762956

IUPAC4-[1-amino-2-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide
SMILESNC(C(=O)NCC1(c2ccc(F)cc2F)CC1)C1CCN(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C23H27F2N5O2/c24-16-1-2-18(19(25)13-16)23(7-8-23)14-28-21(31)20(26)15-5-11-30(12-6-15)22(32)29-17-3-9-27-10-4-17/h1-4,9-10,13,15,20H,5-8,11-12,14,26H2,(H,28,31)(H,27,29,32)
InChIKeyIJCSFYLAYNLZBT-UHFFFAOYSA-N
MW443.50 g/mol
LogP2.78
Rot. Bonds6

About 4-[1-amino-2-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide

4-[1-amino-2-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide (PubChem CID 86762956) has the molecular formula C23H27F2N5O2 and a molecular weight of 443.50 g/mol. Its IUPAC name is 4-[1-amino-2-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-amino-2-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide
PubChem CID86762956
Molecular FormulaC23H27F2N5O2
Molecular Weight443.50 g/mol
Exact Mass443.21
IUPAC Name4-[1-amino-2-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide
SMILESNC(C(=O)NCC1(c2ccc(F)cc2F)CC1)C1CCN(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C23H27F2N5O2/c24-16-1-2-18(19(25)13-16)23(7-8-23)14-28-21(31)20(26)15-5-11-30(12-6-15)22(32)29-17-3-9-27-10-4-17/h1-4,9-10,13,15,20H,5-8,11-12,14,26H2,(H,28,31)(H,27,29,32)
InChIKeyIJCSFYLAYNLZBT-UHFFFAOYSA-N
XLogP2.78
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-amino-2-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide (CID 86762956) is 4-[1-amino-2-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-amino-2-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-amino-2-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide is NC(C(=O)NCC1(c2ccc(F)cc2F)CC1)C1CCN(C(=O)Nc2ccncc2)CC1.
What is the InChIKey of 4-[1-amino-2-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide?
The InChIKey is IJCSFYLAYNLZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N5O2/c24-16-1-2-18(19(25)13-16)23(7-8-23)14-28-21(31)20(26)15-5-11-30(12-6-15)22(32)29-17-3-9-27-10-4-17/h1-4,9-10,13,15,20H,5-8,11-12,14,26H2,(H,28,31)(H,27,29,32).
What are the key properties of 4-[1-amino-2-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide?
4-[1-amino-2-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 86762956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).