N-methyl-N-[4-[[6-[(1-methylcyclopropanecarbonyl)carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]piperidine-4-carboxamide

C23H28N6O4 — CID 90427450

IUPACN-methyl-N-[4-[[6-[(1-methylcyclopropanecarbonyl)carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]piperidine-4-carboxamide
SMILESCN(C(=O)C1CCNCC1)c1cc(Oc2ccc(NC(=O)NC(=O)C3(C)CC3)nc2)ccn1
InChIInChI=1S/C23H28N6O4/c1-23(8-9-23)21(31)28-22(32)27-18-4-3-17(14-26-18)33-16-7-12-25-19(13-16)29(2)20(30)15-5-10-24-11-6-15/h3-4,7,12-15,24H,5-6,8-11H2,1-2H3,(H2,26,27,28,31,32)
InChIKeyGPPHPNVSRLITFL-UHFFFAOYSA-N
MW452.52 g/mol
LogP2.68
Rot. Bonds6

About N-methyl-N-[4-[[6-[(1-methylcyclopropanecarbonyl)carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]piperidine-4-carboxamide

N-methyl-N-[4-[[6-[(1-methylcyclopropanecarbonyl)carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 90427450) has the molecular formula C23H28N6O4 and a molecular weight of 452.52 g/mol. Its IUPAC name is N-methyl-N-[4-[[6-[(1-methylcyclopropanecarbonyl)carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[4-[[6-[(1-methylcyclopropanecarbonyl)carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]piperidine-4-carboxamide
PubChem CID90427450
Molecular FormulaC23H28N6O4
Molecular Weight452.52 g/mol
Exact Mass452.22
IUPAC NameN-methyl-N-[4-[[6-[(1-methylcyclopropanecarbonyl)carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]piperidine-4-carboxamide
SMILESCN(C(=O)C1CCNCC1)c1cc(Oc2ccc(NC(=O)NC(=O)C3(C)CC3)nc2)ccn1
InChIInChI=1S/C23H28N6O4/c1-23(8-9-23)21(31)28-22(32)27-18-4-3-17(14-26-18)33-16-7-12-25-19(13-16)29(2)20(30)15-5-10-24-11-6-15/h3-4,7,12-15,24H,5-6,8-11H2,1-2H3,(H2,26,27,28,31,32)
InChIKeyGPPHPNVSRLITFL-UHFFFAOYSA-N
XLogP2.68
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[[6-[(1-methylcyclopropanecarbonyl)carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-[4-[[6-[(1-methylcyclopropanecarbonyl)carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]piperidine-4-carboxamide (CID 90427450) is N-methyl-N-[4-[[6-[(1-methylcyclopropanecarbonyl)carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[4-[[6-[(1-methylcyclopropanecarbonyl)carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[4-[[6-[(1-methylcyclopropanecarbonyl)carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]piperidine-4-carboxamide is CN(C(=O)C1CCNCC1)c1cc(Oc2ccc(NC(=O)NC(=O)C3(C)CC3)nc2)ccn1.
What is the InChIKey of N-methyl-N-[4-[[6-[(1-methylcyclopropanecarbonyl)carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is GPPHPNVSRLITFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4/c1-23(8-9-23)21(31)28-22(32)27-18-4-3-17(14-26-18)33-16-7-12-25-19(13-16)29(2)20(30)15-5-10-24-11-6-15/h3-4,7,12-15,24H,5-6,8-11H2,1-2H3,(H2,26,27,28,31,32).
What are the key properties of N-methyl-N-[4-[[6-[(1-methylcyclopropanecarbonyl)carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]piperidine-4-carboxamide?
N-methyl-N-[4-[[6-[(1-methylcyclopropanecarbonyl)carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[[6-[(1-methylcyclopropanecarbonyl)carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 90427450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).