N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

C18H24N6O — CID 71868402

IUPACN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCN1C2CCC1CN(C(=O)NCc1ccnc(-n3ccnc3)c1)CC2
InChIInChI=1S/C18H24N6O/c1-22-15-2-3-16(22)12-23(8-5-15)18(25)21-11-14-4-6-20-17(10-14)24-9-7-19-13-24/h4,6-7,9-10,13,15-16H,2-3,5,8,11-12H2,1H3,(H,21,25)
InChIKeyKNMSFKCEXYMDHY-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.65
Rot. Bonds3

About N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (PubChem CID 71868402) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
PubChem CID71868402
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCN1C2CCC1CN(C(=O)NCc1ccnc(-n3ccnc3)c1)CC2
InChIInChI=1S/C18H24N6O/c1-22-15-2-3-16(22)12-23(8-5-15)18(25)21-11-14-4-6-20-17(10-14)24-9-7-19-13-24/h4,6-7,9-10,13,15-16H,2-3,5,8,11-12H2,1H3,(H,21,25)
InChIKeyKNMSFKCEXYMDHY-UHFFFAOYSA-N
XLogP1.65
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide with MolForge

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Related Compounds

2-(cyclopropylmethylamino)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide;dihydrochloride
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(1S)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide
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1-(2-hydroxycyclohexyl)-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea
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9-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 136529481
3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(2-methylpropyl)-1-propan-2-ylurea
CID 136527613
4-cyclohexyl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
CID 60526309
(2R)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide
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1-[(2-hydroxycyclopentyl)methyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methylurea
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N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide
CID 47060911
1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 134813239
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-4-(methylamino)butanamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The IUPAC name of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (CID 71868402) is N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.
What is the SMILES notation for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The canonical SMILES for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is CN1C2CCC1CN(C(=O)NCc1ccnc(-n3ccnc3)c1)CC2.
What is the InChIKey of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The InChIKey is KNMSFKCEXYMDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-22-15-2-3-16(22)12-23(8-5-15)18(25)21-11-14-4-6-20-17(10-14)24-9-7-19-13-24/h4,6-7,9-10,13,15-16H,2-3,5,8,11-12H2,1H3,(H,21,25).
What are the key properties of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is sourced from PubChem (CID 71868402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).