N,N-dimethyl-4-[(2S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine

C16H23N5 — CID 124973491

IUPACN,N-dimethyl-4-[(2S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine
SMILESCc1[nH]cnc1CN1CCC[C@H]1c1ccnc(N(C)C)c1
InChIInChI=1S/C16H23N5/c1-12-14(19-11-18-12)10-21-8-4-5-15(21)13-6-7-17-16(9-13)20(2)3/h6-7,9,11,15H,4-5,8,10H2,1-3H3,(H,18,19)/t15-/m0/s1
InChIKeyKKJNHTZYSXXXBN-HNNXBMFYSA-N
MW285.40 g/mol
LogP2.52
Rot. Bonds4

About N,N-dimethyl-4-[(2S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine

N,N-dimethyl-4-[(2S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine (PubChem CID 124973491) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is N,N-dimethyl-4-[(2S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[(2S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine
PubChem CID124973491
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC NameN,N-dimethyl-4-[(2S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine
SMILESCc1[nH]cnc1CN1CCC[C@H]1c1ccnc(N(C)C)c1
InChIInChI=1S/C16H23N5/c1-12-14(19-11-18-12)10-21-8-4-5-15(21)13-6-7-17-16(9-13)20(2)3/h6-7,9,11,15H,4-5,8,10H2,1-3H3,(H,18,19)/t15-/m0/s1
InChIKeyKKJNHTZYSXXXBN-HNNXBMFYSA-N
XLogP2.52
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(2S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-4-[(2S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine (CID 124973491) is N,N-dimethyl-4-[(2S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[(2S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[(2S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine is Cc1[nH]cnc1CN1CCC[C@H]1c1ccnc(N(C)C)c1.
What is the InChIKey of N,N-dimethyl-4-[(2S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine?
The InChIKey is KKJNHTZYSXXXBN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12-14(19-11-18-12)10-21-8-4-5-15(21)13-6-7-17-16(9-13)20(2)3/h6-7,9,11,15H,4-5,8,10H2,1-3H3,(H,18,19)/t15-/m0/s1.
What are the key properties of N,N-dimethyl-4-[(2S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine?
N,N-dimethyl-4-[(2S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine has a molecular weight of 285.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(2S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 124973491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).