4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-nitro-N-propylpyridine-2-carboxamide

C20H22F2N4O4 — CID 151692280

IUPAC4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-nitro-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1cc(N2CCC(Oc3ccc(F)cc3F)CC2)c([N+](=O)[O-])cn1
InChIInChI=1S/C20H22F2N4O4/c1-2-7-23-20(27)16-11-17(18(12-24-16)26(28)29)25-8-5-14(6-9-25)30-19-4-3-13(21)10-15(19)22/h3-4,10-12,14H,2,5-9H2,1H3,(H,23,27)
InChIKeyRCVDGSVOAAKCBW-UHFFFAOYSA-N
MW420.42 g/mol
LogP3.46
Rot. Bonds7

About 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-nitro-N-propylpyridine-2-carboxamide

4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-nitro-N-propylpyridine-2-carboxamide (PubChem CID 151692280) has the molecular formula C20H22F2N4O4 and a molecular weight of 420.42 g/mol. Its IUPAC name is 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-nitro-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-nitro-N-propylpyridine-2-carboxamide
PubChem CID151692280
Molecular FormulaC20H22F2N4O4
Molecular Weight420.42 g/mol
Exact Mass420.16
IUPAC Name4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-nitro-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1cc(N2CCC(Oc3ccc(F)cc3F)CC2)c([N+](=O)[O-])cn1
InChIInChI=1S/C20H22F2N4O4/c1-2-7-23-20(27)16-11-17(18(12-24-16)26(28)29)25-8-5-14(6-9-25)30-19-4-3-13(21)10-15(19)22/h3-4,10-12,14H,2,5-9H2,1H3,(H,23,27)
InChIKeyRCVDGSVOAAKCBW-UHFFFAOYSA-N
XLogP3.46
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-nitro-N-propylpyridine-2-carboxamide?
The IUPAC name of 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-nitro-N-propylpyridine-2-carboxamide (CID 151692280) is 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-nitro-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-nitro-N-propylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-nitro-N-propylpyridine-2-carboxamide is CCCNC(=O)c1cc(N2CCC(Oc3ccc(F)cc3F)CC2)c([N+](=O)[O-])cn1.
What is the InChIKey of 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-nitro-N-propylpyridine-2-carboxamide?
The InChIKey is RCVDGSVOAAKCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O4/c1-2-7-23-20(27)16-11-17(18(12-24-16)26(28)29)25-8-5-14(6-9-25)30-19-4-3-13(21)10-15(19)22/h3-4,10-12,14H,2,5-9H2,1H3,(H,23,27).
What are the key properties of 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-nitro-N-propylpyridine-2-carboxamide?
4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-nitro-N-propylpyridine-2-carboxamide has a molecular weight of 420.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-nitro-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 151692280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).