N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-amine

C12H17N5 — CID 97164634

IUPACN-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-amine
SMILESCN(C[C@H]1CCNC1)c1nc2ncccc2[nH]1
InChIInChI=1S/C12H17N5/c1-17(8-9-4-6-13-7-9)12-15-10-3-2-5-14-11(10)16-12/h2-3,5,9,13H,4,6-8H2,1H3,(H,14,15,16)/t9-/m0/s1
InChIKeyVXXDLTWSQHUKET-VIFPVBQESA-N
MW231.30 g/mol
LogP1.00
Rot. Bonds3

About N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-amine

N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-amine (PubChem CID 97164634) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-amine
PubChem CID97164634
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-amine
SMILESCN(C[C@H]1CCNC1)c1nc2ncccc2[nH]1
InChIInChI=1S/C12H17N5/c1-17(8-9-4-6-13-7-9)12-15-10-3-2-5-14-11(10)16-12/h2-3,5,9,13H,4,6-8H2,1H3,(H,14,15,16)/t9-/m0/s1
InChIKeyVXXDLTWSQHUKET-VIFPVBQESA-N
XLogP1.00
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-amine with MolForge

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Related Compounds

N-methyl-N-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-amine;hydrochloride
CID 71641501
N-methyl-N-(piperidin-4-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
CID 71642448
N-methyl-N-(pyrrolidin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 71642311
N-methyl-6-nitro-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-benzimidazol-2-amine
CID 97164612
2-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride
CID 71636966
2-(piperidin-3-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride
CID 71636962
2-(2-piperidin-4-ylethoxy)-1H-imidazo[4,5-b]pyridine
CID 71636618
tert-butyl (2R)-2-[[1H-imidazo[4,5-b]pyridin-2-yl(methyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97167488
N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 94408610
2-[2-[(3S)-piperidin-3-yl]ethoxy]-1H-imidazo[4,5-b]pyridine
CID 97178280
N,3-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine;hydrochloride
CID 71642284
N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642131

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-amine (CID 97164634) is N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-amine is CN(C[C@H]1CCNC1)c1nc2ncccc2[nH]1.
What is the InChIKey of N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-amine?
The InChIKey is VXXDLTWSQHUKET-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N5/c1-17(8-9-4-6-13-7-9)12-15-10-3-2-5-14-11(10)16-12/h2-3,5,9,13H,4,6-8H2,1H3,(H,14,15,16)/t9-/m0/s1.
What are the key properties of N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-amine?
N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 97164634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).