N-cyclopropyl-6-methyl-5-[3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridin-2-amine

C18H29N3O — CID 59536622

IUPACN-cyclopropyl-6-methyl-5-[3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridin-2-amine
SMILESCc1nc(NC2CC2)ccc1OC(CC(C)C)[C@H]1CCNC1
InChIInChI=1S/C18H29N3O/c1-12(2)10-17(14-8-9-19-11-14)22-16-6-7-18(20-13(16)3)21-15-4-5-15/h6-7,12,14-15,17,19H,4-5,8-11H2,1-3H3,(H,20,21)/t14-,17?/m0/s1
InChIKeyAVJRTZVLKRZLKW-MBIQTGHCSA-N
MW303.45 g/mol
LogP3.37
Rot. Bonds7

About N-cyclopropyl-6-methyl-5-[3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridin-2-amine

N-cyclopropyl-6-methyl-5-[3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridin-2-amine (PubChem CID 59536622) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-cyclopropyl-6-methyl-5-[3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-methyl-5-[3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridin-2-amine
PubChem CID59536622
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-cyclopropyl-6-methyl-5-[3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridin-2-amine
SMILESCc1nc(NC2CC2)ccc1OC(CC(C)C)[C@H]1CCNC1
InChIInChI=1S/C18H29N3O/c1-12(2)10-17(14-8-9-19-11-14)22-16-6-7-18(20-13(16)3)21-15-4-5-15/h6-7,12,14-15,17,19H,4-5,8-11H2,1-3H3,(H,20,21)/t14-,17?/m0/s1
InChIKeyAVJRTZVLKRZLKW-MBIQTGHCSA-N
XLogP3.37
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methyl-5-[3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridin-2-amine?
The IUPAC name of N-cyclopropyl-6-methyl-5-[3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridin-2-amine (CID 59536622) is N-cyclopropyl-6-methyl-5-[3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridin-2-amine.
What is the SMILES notation for N-cyclopropyl-6-methyl-5-[3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridin-2-amine?
The canonical SMILES for N-cyclopropyl-6-methyl-5-[3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridin-2-amine is Cc1nc(NC2CC2)ccc1OC(CC(C)C)[C@H]1CCNC1.
What is the InChIKey of N-cyclopropyl-6-methyl-5-[3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridin-2-amine?
The InChIKey is AVJRTZVLKRZLKW-MBIQTGHCSA-N. The full InChI is InChI=1S/C18H29N3O/c1-12(2)10-17(14-8-9-19-11-14)22-16-6-7-18(20-13(16)3)21-15-4-5-15/h6-7,12,14-15,17,19H,4-5,8-11H2,1-3H3,(H,20,21)/t14-,17?/m0/s1.
What are the key properties of N-cyclopropyl-6-methyl-5-[3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridin-2-amine?
N-cyclopropyl-6-methyl-5-[3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridin-2-amine has a molecular weight of 303.45 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methyl-5-[3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridin-2-amine is sourced from PubChem (CID 59536622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).