N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide

C16H20N4O2 — CID 129487211

IUPACN-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
SMILESCn1ccnc1[C@@H](NC(=O)c1ccncc1)C1CCOCC1
InChIInChI=1S/C16H20N4O2/c1-20-9-8-18-15(20)14(12-4-10-22-11-5-12)19-16(21)13-2-6-17-7-3-13/h2-3,6-9,12,14H,4-5,10-11H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyVBUDAPAHAKBMQR-AWEZNQCLSA-N
MW300.36 g/mol
LogP1.71
Rot. Bonds4

About N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide

N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide (PubChem CID 129487211) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
PubChem CID129487211
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
SMILESCn1ccnc1[C@@H](NC(=O)c1ccncc1)C1CCOCC1
InChIInChI=1S/C16H20N4O2/c1-20-9-8-18-15(20)14(12-4-10-22-11-5-12)19-16(21)13-2-6-17-7-3-13/h2-3,6-9,12,14H,4-5,10-11H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyVBUDAPAHAKBMQR-AWEZNQCLSA-N
XLogP1.71
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 128988058
N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]imidazo[1,5-a]pyridine-6-carboxamide
CID 167871599
3-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide
CID 128988071
2-methyl-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]propanamide
CID 129487092
1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide
CID 154736963
5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide
CID 128988052
1-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide
CID 154736699
6-methyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487208
N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]quinoxaline-2-carboxamide
CID 129487226
6-methoxy-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridazine-3-carboxamide
CID 129487026
4-ethyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487085
4-chloro-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 129487218

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide (CID 129487211) is N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide is Cn1ccnc1[C@@H](NC(=O)c1ccncc1)C1CCOCC1.
What is the InChIKey of N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide?
The InChIKey is VBUDAPAHAKBMQR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-20-9-8-18-15(20)14(12-4-10-22-11-5-12)19-16(21)13-2-6-17-7-3-13/h2-3,6-9,12,14H,4-5,10-11H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide?
N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 129487211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).