N-methyl-N-propan-2-yl-5-[[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]methyl]pyridin-2-amine

C19H27N5 — CID 124623269

IUPACN-methyl-N-propan-2-yl-5-[[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]methyl]pyridin-2-amine
SMILESCC(C)N(C)c1ccc(CN[C@H]2CCN(c3ccccn3)C2)cn1
InChIInChI=1S/C19H27N5/c1-15(2)23(3)18-8-7-16(13-22-18)12-21-17-9-11-24(14-17)19-6-4-5-10-20-19/h4-8,10,13,15,17,21H,9,11-12,14H2,1-3H3/t17-/m0/s1
InChIKeyNPKUJSKJHWNSPX-KRWDZBQOSA-N
MW325.46 g/mol
LogP2.69
Rot. Bonds6

About N-methyl-N-propan-2-yl-5-[[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]methyl]pyridin-2-amine

N-methyl-N-propan-2-yl-5-[[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]methyl]pyridin-2-amine (PubChem CID 124623269) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-5-[[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-5-[[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]methyl]pyridin-2-amine
PubChem CID124623269
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC NameN-methyl-N-propan-2-yl-5-[[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]methyl]pyridin-2-amine
SMILESCC(C)N(C)c1ccc(CN[C@H]2CCN(c3ccccn3)C2)cn1
InChIInChI=1S/C19H27N5/c1-15(2)23(3)18-8-7-16(13-22-18)12-21-17-9-11-24(14-17)19-6-4-5-10-20-19/h4-8,10,13,15,17,21H,9,11-12,14H2,1-3H3/t17-/m0/s1
InChIKeyNPKUJSKJHWNSPX-KRWDZBQOSA-N
XLogP2.69
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-5-[[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]methyl]pyridin-2-amine?
The IUPAC name of N-methyl-N-propan-2-yl-5-[[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]methyl]pyridin-2-amine (CID 124623269) is N-methyl-N-propan-2-yl-5-[[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-N-propan-2-yl-5-[[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-N-propan-2-yl-5-[[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]methyl]pyridin-2-amine is CC(C)N(C)c1ccc(CN[C@H]2CCN(c3ccccn3)C2)cn1.
What is the InChIKey of N-methyl-N-propan-2-yl-5-[[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]methyl]pyridin-2-amine?
The InChIKey is NPKUJSKJHWNSPX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N5/c1-15(2)23(3)18-8-7-16(13-22-18)12-21-17-9-11-24(14-17)19-6-4-5-10-20-19/h4-8,10,13,15,17,21H,9,11-12,14H2,1-3H3/t17-/m0/s1.
What are the key properties of N-methyl-N-propan-2-yl-5-[[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]methyl]pyridin-2-amine?
N-methyl-N-propan-2-yl-5-[[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]methyl]pyridin-2-amine has a molecular weight of 325.46 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-5-[[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]methyl]pyridin-2-amine is sourced from PubChem (CID 124623269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).