N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide

C25H34N6O2 — CID 110195431

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2ccc(N3C[C@H]4C[C@H](C3)[C@H]3CCCC(=O)N3C4)nc2)c(C)n1
InChIInChI=1S/C25H34N6O2/c1-4-30-16-21(17(2)27-30)14-28(3)25(33)19-8-9-23(26-11-19)29-12-18-10-20(15-29)22-6-5-7-24(32)31(22)13-18/h8-9,11,16,18,20,22H,4-7,10,12-15H2,1-3H3/t18-,20-,22-/m1/s1
InChIKeyBCTAHOSPCBOUEC-SYYKKAFVSA-N
MW450.59 g/mol
LogP2.72
Rot. Bonds5

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide (PubChem CID 110195431) has the molecular formula C25H34N6O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide
PubChem CID110195431
Molecular FormulaC25H34N6O2
Molecular Weight450.59 g/mol
Exact Mass450.27
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2ccc(N3C[C@H]4C[C@H](C3)[C@H]3CCCC(=O)N3C4)nc2)c(C)n1
InChIInChI=1S/C25H34N6O2/c1-4-30-16-21(17(2)27-30)14-28(3)25(33)19-8-9-23(26-11-19)29-12-18-10-20(15-29)22-6-5-7-24(32)31(22)13-18/h8-9,11,16,18,20,22H,4-7,10,12-15H2,1-3H3/t18-,20-,22-/m1/s1
InChIKeyBCTAHOSPCBOUEC-SYYKKAFVSA-N
XLogP2.72
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide (CID 110195431) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide is CCn1cc(CN(C)C(=O)c2ccc(N3C[C@H]4C[C@H](C3)[C@H]3CCCC(=O)N3C4)nc2)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide?
The InChIKey is BCTAHOSPCBOUEC-SYYKKAFVSA-N. The full InChI is InChI=1S/C25H34N6O2/c1-4-30-16-21(17(2)27-30)14-28(3)25(33)19-8-9-23(26-11-19)29-12-18-10-20(15-29)22-6-5-7-24(32)31(22)13-18/h8-9,11,16,18,20,22H,4-7,10,12-15H2,1-3H3/t18-,20-,22-/m1/s1.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide has a molecular weight of 450.59 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide is sourced from PubChem (CID 110195431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).